SCHEMBL740965

SCHEMBL740965

CC(C)(C)OC(=O)NC(CC(=O)O)c1cccc(Br)c1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSK P43235 4/20 0.50
CTSS P25774 3/20 0.50
CTSB P07858 1/20 0.50
CYP26A1 O43174 4/20 0.48
CTSA P10619 1/20 0.43
AAK1 Q2M2I8 4/20 0.42
FNTA P49354 1/20 0.42
FNTB P49356 1/20 0.42
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL22690656 1.00 CTSK (0.50) CTSKCTSSCTSBCYP26A1CTSA
SCHEMBL740964 1.00 CTSK (0.50) CTSKCTSSCTSBCYP26A1CTSA
SCHEMBL29861162 0.89 CTSS (0.47) CTSKCTSSCTSBCYP26A1AAK1
SCHEMBL21459379 0.89 CTSS (0.47) CTSKCTSSCTSBCYP26A1AAK1
SCHEMBL21459378 0.89 CTSS (0.47) CTSKCTSSCTSBCYP26A1AAK1
SCHEMBL27351850 0.89 CTSS (0.47) CTSKCTSSCTSBCYP26A1AAK1
SCHEMBL4838536 0.87 CTSS (0.49) CTSKCTSSCTSBAAK1ALDH1A1
SCHEMBL29676847 0.87 CTSS (0.49) CTSKCTSSCTSBAAK1ALDH1A1
SCHEMBL4704028 0.87 CTSS (0.49) CTSKCTSSCTSBAAK1ALDH1A1
SCHEMBL4838542 0.87 CTSS (0.49) CTSKCTSSCTSBAAK1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240208968-A1 ALPHA V BETA 6 AND ALPHA V BETA 1 INTEGRIN INHIBITORS AND USES THEREOF DICE MOLECULES SV, INC. 2024-06-27 US disclosed
CN-117642396-A Alpha V beta 6 and alpha V beta 1 integrin inhibitors and uses thereof 戴斯分子SV有限公司 2024-03-01 CN disclosed
WO-2024026290-A1 NOVEL HETEROCYCLES AS sPLA2-X INHIBITORS CAYMAN CHEMICAL COMPANY INCORPORATED (US) 2024-02-01 WO disclosed
EP-4304716-A1 ALPHA V BETA 6 AND ALPHA V BETA 1 INTEGRIN INHIBITORS AND USES THEREOF Dice Molecules Sv, Inc. (US) 2024-01-17 EP disclosed
EP-3972590-A1 NATRIURETIC PEPTIDE RECEPTOR A AGONISTS USEFUL FOR THE TREATMENT OF CARDIOMETABOLIC DISEASES, KIDNEY DISEASE AND DIABETES Merck Sharp & Dohme Corp. (US) 2022-03-30 EP disclosed
CN-112312910-A Human integrin alpha 4 beta 7 antagonists 莫菲克医疗股份有限公司 2021-02-02 CN disclosed
WO-2020236688-A1 NATRIURETIC PEPTIDE RECEPTOR A AGONISTS USEFUL FOR THE TREATMENT OF CARDIOMETABOLIC DISEASES, KIDNEY DISEASE AND DIABETES MERCK SHARP & DOHME CORP. (US) 2020-11-26 WO disclosed
US-8138168-B1 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-20 US disclosed
US-20040010023-A1 Biphenyl derivatives and the use thereof as integrin inhibitors MERCK PATENT GMBH (DE) 2004-01-15 US disclosed
US-20030187289-A1 Biphenyl derivatives and the use thereof as integrin inhibitors MERCK PATENT GMBH (DE) 2003-10-02 US disclosed
EP-1311484-A1 BIPHENYL DERIVATIVES AND THE USE THEREOF AS INTEGRIN INHIBITORS MERCK PATENT GmbH (DE) 2003-05-21 EP disclosed
EP-1311489-A1 BIPHENYL DERIVATIVES AND THE USE THEREOF AS INTEGRIN INHIBITORS MERCK PATENT GmbH (DE) 2003-05-21 EP disclosed
WO-2002016328-A1 BIPHENYL DERIVATIVES AND THE USE THEREOF AS INTEGRIN INHIBITORS MERCK PATENT GMBH (DE) 2002-02-28 WO disclosed
WO-2002016323-A1 BIPHENYL DERIVATIVES AND THE USE THEREOF AS INTEGRIN INHIBITORS MERCK PATENT GMBH (DE) 2002-02-28 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 (3 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-20240208968-A1 ALPHA V BETA 6 AND ALPHA V BETA 1 INTEGRIN INHIBITORS AND USES THEREOF ITGB1, ITGA1, ITGAV CTSK 2525/4885CTSS 3083/4885CTSB 2267/4885
US-20040010023-A1 Biphenyl derivatives and the use thereof as integrin inhibitors ITGB1, ITGB4, ITGB3 CTSK 2109/4885CTSS 1314/4885CTSB 762/4885
US-20030187289-A1 Biphenyl derivatives and the use thereof as integrin inhibitors ITGB1, ITGB3, ITGB2 CTSK 2373/4885CTSS 1514/4885CTSB 801/4885

“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.