SCHEMBL5201967

SCHEMBL5201967

COc1cncc(Cl)c1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HSD17B10 Q99714 1/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
PDE4D Q08499 10/20 0.43
SLC6A9 P48067 1/20 0.41
PDE4A P27815 3/20 0.40
PDE4B Q07343 3/20 0.40
PDE4C Q08493 3/20 0.40
GFER P55789 1/20 0.39
FABP4 P15090 1/20 0.38
PRKAB2 O43741 1/20 0.37
PRKAG1 P54619 1/20 0.37
PRKAA2 P54646 1/20 0.37
PRKAA1 Q13131 1/20 0.37

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
SCHEMBL5263721 0.86 CA12 (0.59) KDM4EALDH1A1HSD17B10CA12CA1
SCHEMBL111872 0.80 HCAR2 (0.46) KDM4EALDH1A1HSD17B10
SCHEMBL25098056 0.79 CA12 (0.47) KDM4EALDH1A1HSD17B10CA12CA1
SCHEMBL6257319 0.78 ITGB1 (0.40) ALDH1A1CA9PDE4DPDE4APDE4B
SCHEMBL15645276 0.78 CA12 (0.46) KDM4EALDH1A1HSD17B10CA12CA1
SCHEMBL21818391 0.78 CA12 (0.46) KDM4EALDH1A1HSD17B10CA12CA1
Hydrochloric Acid SCHEMBL5204506 0.78 HCAR2 (0.45) KDM4EALDH1A1HSD17B10
SCHEMBL5760445 0.78 HCAR2 (0.45) KDM4EALDH1A1HSD17B10
SCHEMBL2304247 0.77 ALPL (0.40)
SCHEMBL6128444 0.77 PDE4A (0.47) ALDH1A1CA9PDE4DPDE4APDE4B

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113195053-B Amino acid compounds and methods of use 普利安特治疗公司 2024-08-30 CN disclosed
US-20240270742-A1 SUBSTITUTED AMINO ACIDS AS INTEGRIN INHIBITORS PLIANT THERAPEUTICS INC (US) 2024-08-15 US disclosed
US-11952376-B2 Substituted amino acids as integrin inhibitors PLIANT THERAPEUTICS, INC. (US) 2024-04-09 US disclosed
US-20220144829-A1 AMINO ACID COMPOUNDS AND METHODS OF USE PLIANT THERAPEUTICS, INC. 2022-05-12 US disclosed
US-11180494-B2 Substituted amino acids as integrin inhibitors PLIANT THERAPEUTICS, INC. (US) 2021-11-23 US disclosed
EP-3863711-A1 AMINO ACID COMPOUNDS AND METHODS OF USE Pliant Therapeutics, Inc. (US) 2021-08-18 EP disclosed
CN-113195053-A Amino acid compounds and methods of use 普利安特治疗公司 2021-07-30 CN disclosed
US-20200109141-A1 AMINO ACID COMPOUNDS AND METHODS OF USE PLIANT THERAPEUTICS, INC. 2020-04-09 US disclosed
EP-1389200-A4 SUBSTITUTED N-ARYLSULFONYL-PROLINE DERIVATIVES AS POTENT CELL ADHESION INHIBITORS MERCK & CO INC (US) 2007-03-28 EP disclosed
US-20050239841-A1 New compounds BIOVITRUM AB (SE) 2005-10-27 US disclosed
US-6943180-B2 Substituted N-arylsulfonyl-proline derivatives as potent cell adhesion inhibitors MERCK & CO., INC. (US) 2005-09-13 US disclosed
WO-2005051381-A1 Substituted urea-octatydroindols as antagonists of melanin concentrating hormone receptor 1 (MCH1R) BIOVITRUM AB (SE) 2005-06-09 WO disclosed
US-20040102478-A1 Substituted n-arylsulfonyl-proline derivatives as potent cell adhesion inhibitors MERCK & CO., INC. 2004-05-27 US disclosed
EP-1389200-A1 SUBSTITUTED N-ARYLSULFONYL-PROLINE DERIVATIVES AS POTENT CELL ADHESION INHIBITORS Merck & Co., Inc. (US) 2004-02-18 EP disclosed
WO-2002074761-A1 SUBSTITUTED N-ARYLSULFONYL-PROLINE DERIVATIVES AS POTENT CELL ADHESION INHIBITORS MERCK & CO., INC. (US) 2002-09-26 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 (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-20220144829-A1 AMINO ACID COMPOUNDS AND METHODS OF USE ITGB6, ITGA1, ITGAL KDM4E 3249/4885ALDH1A1 1981/4885HSD17B10 3853/4885
US-20200109141-A1 AMINO ACID COMPOUNDS AND METHODS OF USE ITGB6, ITGA1, ITGAL KDM4E 3249/4885ALDH1A1 1981/4885HSD17B10 3853/4885
US-20040102478-A1 Substituted n-arylsulfonyl-proline derivatives as potent cell adhesion inhibitors VCAM1, CD4, ICAM1 KDM4E 1531/4885ALDH1A1 418/4885HSD17B10 3819/4885
US-11952376-B2 Substituted amino acids as integrin inhibitors ITGB6, ITGA1, ITGB1 KDM4E 3124/4885ALDH1A1 2168/4885HSD17B10 4145/4885
US-11180494-B2 Substituted amino acids as integrin inhibitors ITGB6, ITGA1, ITGB1 KDM4E 3124/4885ALDH1A1 2168/4885HSD17B10 4145/4885
US-20240270742-A1 SUBSTITUTED AMINO ACIDS AS INTEGRIN INHIBITORS ITGB6, ITGA1, ITGB1 KDM4E 3124/4885ALDH1A1 2168/4885HSD17B10 4145/4885
US-20050239841-A1 New compounds MCHR1, NPY1R, HCRTR1 KDM4E 3911/4885ALDH1A1 1918/4885HSD17B10 1525/4885

“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.