SCHEMBL310426

SCHEMBL310426

COc1c(F)c(F)cc(C=O)c1F

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 1/20 0.42
TSHR P16473 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
ERN1 O75460 10/20 0.40
MCL1 Q07820 1/20 0.40
PRKDC P78527 1/20 0.38
TRIM24 O15164 1/20 0.36
TYR P14679 1/20 0.36
TRIM33 Q9UPN9 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL27189181 0.88 ALDH1A1 (0.42) ALDH1A1KDM4ETSHRTDP1CA1
SCHEMBL27306404 0.83 ALDH1A1 (0.42) ALDH1A1KDM4ETSHRTDP1CA1
SCHEMBL4655024 0.83 ALDH1A1 (0.42) ALDH1A1KDM4ETSHRTDP1CA1
SCHEMBL9787541 0.82 ERN1 (0.48) CA1CA2ERN1TRIM24TYR
SCHEMBL27581741 0.80 ALDH1A1 (0.39) ALDH1A1KDM4ETSHRTDP1CA1
SCHEMBL5759448 0.80 PRKDC (0.44) ALDH1A1KDM4ETSHRTDP1CA1
SCHEMBL17263379 0.80 ALDH1A1 (0.53) ALDH1A1KDM4ETSHRTDP1ERN1
SCHEMBL448336 0.79 ALDH1A1 (0.39) ALDH1A1KDM4ETDP1CA1CA2
SCHEMBL31166894 0.79 ALDH1A1 (0.42) ALDH1A1KDM4ETSHRTDP1CA1
SCHEMBL27547025 0.79 TUBB1 (0.34) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230339871-A1 COMPOUNDS AND METHODS OF MODULATING 17B-HYDROXYSTEROID DEHYDROGENASE TYPE 13 METREA BIOSCIENCES INC (US) 2023-10-26 US disclosed
EP-4200286-A1 COMPOUNDS AND METHODS OF MODULATING 17BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 13 Metrea Biosciences, Inc. (US) 2023-06-28 EP disclosed
CN-115916762-A Compounds and methods for modulating 17 beta-hydroxysteroid dehydrogenase type 13 梅特雷亚生物科学股份有限公司 2023-04-04 CN disclosed
WO-2022040324-A1 COMPOUNDS AND METHODS OF MODULATING 17β-ΗYDROXYSTEROID DEHYDROGENASE TYPE 13 METREA BIOSCIENCES, INC. (US) 2022-02-24 WO disclosed
US-20210238139-A1 MODULATORS OF TRYPTOPHAN CATABOLISM E-THERAPEUTICS PLC (GB) 2021-08-05 US disclosed
CN-106255679-B As NAThe heterocyclic compound and application thereof of V channel inhibitor 默克专利有限公司 2019-09-06 CN disclosed
CN-109516982-A Mu-opioid receptor agonist, preparation method thereof and application thereof in medicine field 上海华汇拓医药科技有限公司 2019-03-26 CN disclosed
CN-109134451-A 1,3- 2-substituted carbamide class and thiourea derivatives and its application 遵义医学院 2019-01-04 CN disclosed
US-9884839-B2 Inhibitors of 17Beta-hydroxysteroid dehydrogenases type 1 and type 2 ELEXOPHARM GMBH (DE) 2018-02-06 US disclosed
CN-106255679-A As Naheterocyclic compound of V channel inhibitor and application thereof 默克专利有限公司 2016-12-21 CN disclosed
US-20030040545-A1 (R)-Chiral halogenated substituted fused heterocyclic amino compounds useful for inhibiting cholesteryl ester transfer protein activity SIKORSKI JAMES A (US) 2003-02-27 US disclosed
CN-1398264-A Indol-3-yl derivatives MERCK PATENT GMBH (DE) 2003-02-19 CN disclosed
US-6521607-B1 Preventing coronary artery disease PHARMACIA CORPORATION 2003-02-18 US disclosed
US-20020177708-A1 (R)-chiral halogenated substituted N-benzyl-N-phenyl aminoalcohol compounds useful for inhibiting cholesteryl ester transfer protein activity SIKORSKI JAMES A (US) 2002-11-28 US disclosed
EP-1115695-A1 (R)-CHIRAL HALOGENATED 1-SUBSTITUTEDAMINO-(N+1)-ALKANOLS USEFUL FOR INHIBITING CHOLESTERYL ESTER TRANSFER PROTEIN ACTIVITY Monsanto Company (US) 2001-07-18 EP disclosed
CN-1299365-A Hygromycin A derivatives PFIZER PROD INC (US) 2001-06-13 CN disclosed
CN-1056373-C Process for preparing fluoroalkoxybenzylamino derivatives of nitrogen containing heterocycles PFIZER (US) 2000-09-13 CN disclosed
WO-2000018724-A1 (R)-CHIRAL HALOGENATED 1-SUBSTITUTEDAMINO-(n+1)-ALKANOLS USEFUL FOR INHIBITING CHOLESTERYL ESTER TRANSFER PROTEIN ACTIVITY MONSANTO COMPANY (US) 2000-04-06 WO disclosed
CN-1220658-A Calcium Receptor Active Compounds NPS PHARMA INC (US) 1999-06-23 CN disclosed
CN-1067655-A FLUOROALKOXYBENZYLAMINO DERIVATIVES OF NITROGEN CONTAINING HETEROCYCLES PFIZER (US) 1993-01-06 CN 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 (4 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-20210238139-A1 MODULATORS OF TRYPTOPHAN CATABOLISM TPH1, KYNU, TPH2 ALDH1A1 606/4885KDM4E 2770/4885TSHR 343/4885
US-20020177708-A1 (R)-chiral halogenated substituted N-benzyl-N-phenyl aminoalcohol compounds useful for inhibiting cholesteryl ester transfer protein activity CETP, DBI, MTTP ALDH1A1 2708/4885KDM4E 3846/4885TSHR 2273/4885
US-20030040545-A1 (R)-Chiral halogenated substituted fused heterocyclic amino compounds useful for inhibiting cholesteryl ester transfer protein activity CETP, MTTP, PLTP ALDH1A1 3571/4885KDM4E 3708/4885TSHR 1592/4885
US-20230339871-A1 COMPOUNDS AND METHODS OF MODULATING 17B-HYDROXYSTEROID DEHYDROGENASE TYPE 13 HSD17B1, HSD17B13, HSD17B11 ALDH1A1 114/4885KDM4E 3023/4885TSHR 2638/4885

“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.