SCHEMBL612265

SCHEMBL612265

O=C(c1ccc(Cl)cc1Br)C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT1 P17948 3/20 0.46
FLT4 P35916 3/20 0.46
KDR P35968 3/20 0.46
SMN1; SMN2 Q16637 4/20 0.41
TSHR P16473 1/20 0.41
CASP1 P29466 1/20 0.41
TMPRSS4 Q9NRS4 4/20 0.40
IDO1 P14902 1/20 0.39
GPR27 Q9NS67 1/20 0.38
ALDH1A1 P00352 5/20 0.38
HPGD P15428 2/20 0.38
MAPT P10636 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
MAPK1 P28482 1/20 0.38
HIF1A Q16665 1/20 0.38
GRIK1 P39086 1/20 0.38
P2RX1 P51575 1/20 0.38
P2RX4 Q99571 1/20 0.38
P2RX7 Q99572 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL31678938 1.00 FLT1 (0.46) FLT1FLT4KDRSMN1; SMN2TSHR
SCHEMBL10580560 0.81 TSHR (0.59) FLT1FLT4KDRSMN1; SMN2TSHR
SCHEMBL120474 0.79 CYP11B2 (0.44) SMN1; SMN2TSHRCASP1TMPRSS4GPR27
SCHEMBL1345954 0.79 CES1 (0.44) SMN1; SMN2IDO1MAPTNPC1RAB9A
SCHEMBL20360438 0.78 FLT1 (0.44) FLT1FLT4KDRSMN1; SMN2TMPRSS4
SCHEMBL20360448 0.78 FLT1 (0.41) FLT1FLT4KDRSMN1; SMN2TSHR
SCHEMBL20360446 0.78 FLT1 (0.41) FLT1FLT4KDRSMN1; SMN2TSHR
SCHEMBL14310501 0.78 FLT1 (0.46) FLT1FLT4KDRSMN1; SMN2TSHR
SCHEMBL20308955 0.78 HTT (0.39) SMN1; SMN2IDO1ALDH1A1HPGDMAPT
SCHEMBL18043682 0.78 SMN1; SMN2 (0.41) SMN1; SMN2TSHRCASP1TMPRSS4ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 52 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10472313-B1 Process for synthesizing trifluoroketones GRAPHENE 3D LAB INC. (US) 2019-11-12 US claimed
US-11759462-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors ALTAVANT SCIENCES GMBH 2023-09-19 US disclosed
EP-3486242-B1 OXOPICOLINAMIDE DERIVATIVE, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF JIANGSU HENGRUI MEDICINE CO (CN) 2021-12-08 EP disclosed
US-11084808-B2 Oxopicolinamide derivative, preparation method therefor and pharmaceutical use thereof JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2021-08-10 US disclosed
US-20210205305-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS ALTAVANT SCIENCES GMBH (CH) 2021-07-08 US disclosed
EP-3808740-A1 ORAL DOSAGE FORMS COMPRISING 4-PHENYL-6-(2,2,2-TRIFLUORO-1-PHENYLETHOXY)PYRIMIDINE-BASED COMPOUNDS AND METHODS OF THEIR USE TerSera Therapeutics LLC (US) 2021-04-21 EP disclosed
US-10946018-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors ROIVANT SCIENCES GMBH (CH) 2021-03-16 US disclosed
EP-3176159-B1 4-PHENYL-6-(2,2,2-TRIFLUORO-1-PHENYLETHOXY)PYRIMIDINE-BASED COMPOUNDS AND METHODS OF THEIR USE LEXICON PHARMACEUTICALS INC (US) 2020-10-21 EP disclosed
US-20200237760-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS ROIVANT SCIENCES GMBH (CH) 2020-07-30 US disclosed
US-20200199115-A1 OXOPICOLINAMIDE DERIVATIVE, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF SHANGHAI HENGRUI PHARMACEUTICAL CO., LTD. (CN) 2020-06-25 US disclosed
WO-2010065333-A1 4-PHENYL-6-(2,2,2-TRIFLUORO-1-PHENYLETHOXY)PYRIMIDINE-BASED COMPOUNDS FOR THE TREATMENT OF OSTEOPOROSIS LEXICON PHARMACEUTICALS, INC. (US) 2010-06-10 WO disclosed
US-7709493-B2 Tryptophan hydroxylase inhibitors; anticarcinogenic agents; gastrointestinal, cardiovascular, and respiratory system disorders; (S)-2-amino-3-[4-(2-amino-6-{R-1-[4-chloro-2-(3-methyl-pyrazol-1-yl)-phenyl]-2,2,2-trifluoro-ethoxy}-pyrimidin-4-yl)-phenyl]-propionic acid ethyl ester LEXICON PHARMACEUTICALS, INC. (US) 2010-05-04 US disclosed
EP-2178536-A1 METHODS OF AFFECTING GASTROINTESTINAL TRANSIT AND GASTRIC EMPTYING, AND COMPOUNDS USEFUL THEREIN Lexicon Pharmaceuticals, Inc. (US) 2010-04-28 EP disclosed
US-20090286817-A1 Tryptophan hydroxylase inhibitors; anticarcinogenic agents; gastrointestinal, cardiovascular, and respiratory system disorders; (S)-2-amino-3-[4-(2-amino-6-{R-1-[4-chloro-2-(3-methyl-pyrazol-1-yl)-phenyl]-2,2,2-trifluoro-ethoxy}-pyrimidin-4-yl)-phenyl]-propionic acid ethyl ester TERSERA THERAPEUTICS LLC 2009-11-19 US disclosed
EP-2091940-A2 4-PHENYL-6-(2,2,2-TRIFLUORO-1-PHENYLETHOXY)PYRIMIDINE-BASED COMPOUNDS AND METHODS OF THEIR USE Lexicon Pharmaceuticals, Inc. (US) 2009-08-26 EP disclosed
US-7553840-B2 Tryptophan hydroxylase inhibitors; anticarcinogenic agents; gastrointestinal, cardiovascular, and respiratory system disorders LEXICON PHARMACEUTICALS, INC. (US) 2009-06-30 US disclosed
US-20090029993-A1 METHODS OF AFFECTING GASTROINTESTINAL TRANSIT AND GASTRIC EMPTYING, AND COMPOUNDS USEFUL THEREIN LEXICON PHARMACEUTICALS, INC. 2009-01-29 US disclosed
WO-2009014972-A1 METHODS OF AFFECTING GASTROINTESTINAL TRANSIT AND GASTRIC EMPTYING, AND COMPOUNDS USEFUL THEREIN LEXICON PHARMACEUTICALS, INC. (US) 2009-01-29 WO disclosed
US-20080153852-A1 Tryptophan hydroxylase inhibitors; anticarcinogenic agents; gastrointestinal, cardiovascular, and respiratory system disorders TERSERA THERAPEUTICS LLC 2008-06-26 US disclosed
WO-2008073933-A2 4-PHENYL-6-(2,2,2-TRIFLUORO-1-PHENYLETHOXY)PYRIMIDINE-BASED COMPOUNDS AND METHODS OF THEIR USE LEXICON PHARMACEUTICALS, INC. (US) 2008-06-19 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (10 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090286817-A1 Tryptophan hydroxylase inhibitors; anticarcinogenic agents; gastrointestinal, cardiovascular, and respiratory system disorders; (S)-2-amino-3-[4-(2-amino-6-{R-1-[4-chloro-2-(3-methyl-pyrazol-1-yl)-phenyl]-2,2,2-trifluoro-ethoxy}-pyrimidin-4-yl)-phenyl]-propionic acid ethyl ester TPH1, TPH2, PAH FLT1 2030/4885FLT4 2402/4885KDR 2534/4885
US-20200237760-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A FLT1 1199/4885FLT4 2717/4885KDR 1536/4885
US-20210205305-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A FLT1 1199/4885FLT4 2717/4885KDR 1536/4885
US-20200199115-A1 OXOPICOLINAMIDE DERIVATIVE, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF F11, F2, F7 FLT1 1430/4885FLT4 2137/4885KDR 2328/4885
US-20080153852-A1 Tryptophan hydroxylase inhibitors; anticarcinogenic agents; gastrointestinal, cardiovascular, and respiratory system disorders TPH1, TPH2, MAOA FLT1 2715/4885FLT4 2783/4885KDR 2816/4885
US-11759462-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors TPH1, TPH2, HTR1A FLT1 1199/4885FLT4 2717/4885KDR 1536/4885
US-11084808-B2 Oxopicolinamide derivative, preparation method therefor and pharmaceutical use thereof F11, F2, F7 FLT1 1349/4885FLT4 2175/4885KDR 2373/4885
US-20090029993-A1 METHODS OF AFFECTING GASTROINTESTINAL TRANSIT AND GASTRIC EMPTYING, AND COMPOUNDS USEFUL THEREIN TPH1, TPH2, HNMT FLT1 4810/4885FLT4 4610/4885KDR 4778/4885
US-10472313-B1 Process for synthesizing trifluoroketones FRK, PFKFB2, PFKFB1 FLT1 537/4885FLT4 582/4885KDR 221/4885
US-10946018-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors TPH1, TPH2, HTR1A FLT1 1199/4885FLT4 2717/4885KDR 1536/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.