Sugi Predict

Sugi Predict / Compounds / SCHEMBL609900

SCHEMBL609900

SCHEMBL609900

O[C@@H](c1ccc(Br)cc1)C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 1/20 0.39
▸ ESR2 Q92731 1/20 0.39
▸ CYP2A6 P11509 1/20 0.38
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ CA5A P35218 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ NR1I2 O75469 1/20 0.37
▸ ALOX15 P16050 1/20 0.36
▸ HTR2A P28223 1/20 0.34
▸ CES2 O00748 1/20 0.34
▸ CES1 P23141 1/20 0.34
▸ CTSL P07711 2/20 0.33
▸ CTSB P07858 2/20 0.33
▸ CTSS P25774 2/20 0.33
▸ CTSK P43235 2/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ ALOX5 P09917 1/20 0.33
▸ IGF1R P08069 1/20 0.33

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
SCHEMBL1589426 1.00 ESR1 (0.39) ESR1ESR2CYP2A6CA1CA2
SCHEMBL11685 1.00 ESR1 (0.39) ESR1ESR2CYP2A6CA1CA2
SCHEMBL14593355 0.87 ESR1 (0.48) ESR1ESR2NR1I2CES2CES1
SCHEMBL5865845 0.86 CYP2A6 (0.38) ESR1ESR2CYP2A6CA1CA2
SCHEMBL20639760 0.84 IGF1R (0.54) IGF1R
SCHEMBL1589521 0.82 CYP1A2 (0.39) CYP2A6CA1CA2CA5ACA9
SCHEMBL7961661 0.82 CA1 (0.35) ESR1ESR2CYP2A6CA1CA2
SCHEMBL2175953 0.78 ESR1 (0.65) ESR1ESR2CA1CA2CA5A
SCHEMBL1273068 0.78 NR1I2 (0.41) ESR1ESR2NR1I2CES2CES1
SCHEMBL1272903 0.78 NR1I2 (0.41) ESR1ESR2NR1I2CES2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113462602-B Corksaiella radicata ZJPH202011 and application thereof 浙江工业大学 2022-05-24 — — CN disclosed
WO-2022095971-A1 SPIRO HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF 上海医药集团股份有限公司 2022-05-12 — — WO disclosed
CN-114437096-A Spiro-heterocyclic compound, and preparation method and application thereof 上海医药集团股份有限公司 2022-05-06 — — CN disclosed
CN-113462602-A Corksaiella radicata ZJPH202011 and application thereof 浙江工业大学 2021-10-01 — — CN disclosed
CN-113462728-A Method for preparing (R) -1- (4-bromophenyl) -2,2, 2-trifluoroethanol by using Verticillium terrestris 浙江工业大学 2021-10-01 — — CN 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
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
EP-3209296-B1 ETHYL N-BOC PIPERIDINYL PYRAZOLO PYRIDONES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME (US) 2019-07-10 — — EP disclosed
US-10072025-B2 Ethyl N-boc piperidinyl pyrazolo pyridones as Janus kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2018-09-11 — — US disclosed
EP-2976339-B1 GEMINALLY SUBSTITUTED CYANOETHYLPYRAZOLO PYRIDONES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME (US) 2018-06-27 — — EP disclosed
WO-2010047712-A1 PROCESS FOR THE PREPARATION OF SUBSTITUTED PHENYLALANINES LEXICON PHARMACEUTICALS, INC. (US) 2010-04-29 — — WO 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
US-7553840-B2 Tryptophan hydroxylase inhibitors; anticarcinogenic agents; gastrointestinal, cardiovascular, and respiratory system disorders LEXICON PHARMACEUTICALS, INC. (US) 2009-06-30 — — US disclosed
US-20090118505-A1 PROCESS FOR THE PREPARATION OF SUBSTITUTED PHENYLALANINES TERSERA THERAPEUTICS LLC 2009-05-07 — — US disclosed
US-20090099206-A1 SOLID FORMS OF (S)-2-AMINO-3-(4-(2-AMINO-6-((R)-2,2,2-TRIFLUORO-1-(3'-METHOXYBIPHENYL-4-YL)ETHOXY)PYRIMIDIN-4-YL)PHENYL)PROPANOIC ACID AND METHODS OF THEIR USE LEXICON PHARMACEUTICALS, INC. 2009-04-16 — — US disclosed
US-20090048280-A1 Process for the preparation of substituted phenylalanines TERSERA THERAPEUTICS LLC 2009-02-19 — — 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

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

For each of this compound's patents that has machine-readable text (7 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 ESR1 2931/4885ESR2 757/4885CYP2A6 68/4885
US-20090099206-A1 SOLID FORMS OF (S)-2-AMINO-3-(4-(2-AMINO-6-((R)-2,2,2-TRIFLUORO-1-(3'-METHOXYBIPHENYL-4-YL)ETHOXY)PYRIMIDIN-4-YL)PHENYL)PROPANOIC ACID AND METHODS OF THEIR USE PCCA, ANXA6, CPS1 ESR1 3923/4885ESR2 1361/4885CYP2A6 256/4885
US-20090118505-A1 PROCESS FOR THE PREPARATION OF SUBSTITUTED PHENYLALANINES PAH, TYR, NPEPPS ESR1 3868/4885ESR2 4138/4885CYP2A6 232/4885
US-20080153852-A1 Tryptophan hydroxylase inhibitors; anticarcinogenic agents; gastrointestinal, cardiovascular, and respiratory system disorders TPH1, TPH2, MAOA ESR1 4167/4885ESR2 2067/4885CYP2A6 99/4885
US-10072025-B2 Ethyl N-boc piperidinyl pyrazolo pyridones as Janus kinase inhibitors JAK1, JAK2, JAK3 ESR1 1127/4885ESR2 1045/4885CYP2A6 2037/4885
US-20090029993-A1 METHODS OF AFFECTING GASTROINTESTINAL TRANSIT AND GASTRIC EMPTYING, AND COMPOUNDS USEFUL THEREIN TPH1, TPH2, HNMT ESR1 4854/4885ESR2 4267/4885CYP2A6 372/4885
US-20090048280-A1 Process for the preparation of substituted phenylalanines PAH, TYR, NPEPPS ESR1 3868/4885ESR2 4138/4885CYP2A6 232/4885

“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.