SCHEMBL2862033

SCHEMBL2862033

COc1ccc(C(N)CC(=O)O)cc1F

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.55
LMNA P02545 2/20 0.50
HTT P42858 2/20 0.50
MAPK1 P28482 1/20 0.50
RAB9A P51151 1/20 0.50
GAA P10253 1/20 0.46
ACHE P22303 1/20 0.44
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TNF P01375 1/20 0.42
TAS1R3 Q7RTX0 1/20 0.42
TAS1R1 Q7RTX1 1/20 0.42
CTSA P10619 1/20 0.41
LDHA P00338 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL21271500 1.00 FFAR1 (0.55) FFAR1LMNAHTTMAPK1RAB9A
SCHEMBL20139069 1.00 FFAR1 (0.55) FFAR1LMNAHTTMAPK1RAB9A
SCHEMBL21284338 0.87 PDE4A (0.47) FFAR1LMNAHTTMAPK1RAB9A
SCHEMBL2991798 0.86 ACHE (0.59) GAAACHEKMT2ASMN1; SMN2TNF
SCHEMBL30540379 0.86 ACHE (0.59) GAAACHEKMT2ASMN1; SMN2TNF
SCHEMBL4671897 0.86 ACHE (0.59) GAAACHEKMT2ASMN1; SMN2TNF
SCHEMBL5720955 0.86 ACHE (0.59) GAAACHEKMT2ASMN1; SMN2TNF
SCHEMBL20379539 0.85 FFAR1 (0.57) FFAR1LMNAHTTMAPK1RAB9A
Hydrochloric Acid SCHEMBL5905254 0.85 ACHE (0.57) GAAACHEKMT2ASMN1; SMN2TNF
Hydrochloric Acid SCHEMBL5742665 0.85 ACHE (0.57) GAAACHEKMT2ASMN1; SMN2TNF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3538526-B1 CYCLOBUTANE- AND AZETIDINE-CONTAINING MONO AND SPIROCYCLIC COMPOUNDS AS ALPHA V INTEGRIN INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2024-04-10 EP disclosed
US-11639353-B2 Cyclobutanes- and azetidine-containing mono and spirocyclic compounds as αV integrin inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2023-05-02 US disclosed
CN-110167933-B As αVAzole amides and amines as integrin inhibitors 百时美施贵宝公司 2022-06-21 CN disclosed
CN-110167934-B Cyclobutane-and azetidine-containing monocyclic and spiro compounds as alpha V integrin inhibitors 百时美施贵宝公司 2022-06-10 CN disclosed
US-11292802-B2 Substituted tetrahydropyrrolo[1,2-a]pyrazines as alpha v integrin inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2022-04-05 US disclosed
EP-3707142-B1 PYRROLOPYRAZINE DERIVATIVES AS ALPHA V INTEGRIN INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2021-12-08 EP disclosed
EP-3538527-B1 AZOLE AMIDES AND AMINES AS ALPHA V INTEGRIN INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2021-10-13 EP disclosed
US-20210246136-A1 CYCLOBUTANES- AND AZETIDINE-CONTAINING MONO AND SPIROCYCLIC COMPOUNDS AS ALPHA V INTEGRIN INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2021-08-12 US disclosed
EP-3538519-B1 INDAZOLE DERIVATIVES AS ALPHA V INTEGRIN ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2021-07-28 EP disclosed
US-11028071-B2 Indazole derivatives as alpha v integrin antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2021-06-08 US disclosed
US-20190256496-A1 INDAZOLE DERIVATIVES AS ALPHA V INTEGRIN ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2019-08-22 US disclosed
US-20190256512-A1 PYRROLE AMIDES AS ALPHA V INTEGRIN INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2019-08-22 US disclosed
US-20190256513-A1 AZOLE AMIDES AND AMINES AS ALPHA V INTEGRIN INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2019-08-22 US disclosed
WO-2018089357-A1 INDAZOLE DERIVATIVES AS αV INTEGRIN ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-05-17 WO disclosed
WO-2018089358-A1 AZOLE AMIDES AND AMINES AS ALPHA V INTEGRIN INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-05-17 WO disclosed
WO-2018089355-A1 CYCLOBUTANE- AND AZETIDINE-CONTAINING MONO AND SPIROCYCLIC COMPOUNDS AS ALPHA V INTEGRIN INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-05-17 WO disclosed
EP-1077994-B1 IMIDAZOLIDINE DERIVATIVES, THE PRODUCTION THEREOF, THEIR USE AND PHARMACEUTICAL PREPARATIONS CONTAINING THE SAME SANOFI AVENTIS DEUTSCHLAND (DE) 2010-01-20 EP disclosed
US-6667334-B1 Inhibitors of adhesion and migration of leukocytes and/or antagonists of adhesion receptor VLA-4 belonging to integrins group AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-12-23 US disclosed
EP-1077994-A1 IMIDAZOLIDINE DERIVATIVES, THE PRODUCTION THEREOF, THEIR USE AND PHARMACEUTICAL PREPARATIONS CONTAINING THE SAME Aventis Pharma Deutschland GmbH (DE) 2001-02-28 EP disclosed
WO-1999060015-A1 IMIDAZOLIDINE DERIVATIVES, THE PRODUCTION THEREOF, THEIR USE AND PHARMACEUTICAL PREPARATIONS CONTAINING THE SAME AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 1999-11-25 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-20190256512-A1 PYRROLE AMIDES AS ALPHA V INTEGRIN INHIBITORS ITGAV, ITGB1, ITGA1 FFAR1 1389/4885LMNA 3487/4885HTT 4357/4885
US-20190256496-A1 INDAZOLE DERIVATIVES AS ALPHA V INTEGRIN ANTAGONISTS ITGAV, ITGB1, ITGB3 FFAR1 1511/4885LMNA 2016/4885HTT 4505/4885
US-11292802-B2 Substituted tetrahydropyrrolo[1,2-a]pyrazines as alpha v integrin inhibitors ITGB1, ITGAV, ITGA1 FFAR1 871/4885LMNA 3631/4885HTT 4807/4885
US-20210246136-A1 CYCLOBUTANES- AND AZETIDINE-CONTAINING MONO AND SPIROCYCLIC COMPOUNDS AS ALPHA V INTEGRIN INHIBITORS ITGB1, ITGAV, ITGA1 FFAR1 1171/4885LMNA 2806/4885HTT 4039/4885
US-11028071-B2 Indazole derivatives as alpha v integrin antagonists ITGAV, ITGB1, ITGB3 FFAR1 1511/4885LMNA 2016/4885HTT 4505/4885
US-11639353-B2 Cyclobutanes- and azetidine-containing mono and spirocyclic compounds as αV integrin inhibitors ITGB1, ITGB2, ITGA1 FFAR1 1343/4885LMNA 2992/4885HTT 4132/4885
US-20190256513-A1 AZOLE AMIDES AND AMINES AS ALPHA V INTEGRIN INHIBITORS ITGAV, ITGB1, ITGA1 FFAR1 1228/4885LMNA 2428/4885HTT 4391/4885

“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.