SCHEMBL3727872

SCHEMBL3727872

COc1ccc(C(N)CC(=O)O)cn1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NNMT P40261 1/20 0.47
FFAR1 O14842 3/20 0.45
CHRNA7 P36544 1/20 0.44
CTSA P10619 1/20 0.44
KMT2A Q03164 5/20 0.44
ALDH1A1 P00352 2/20 0.44
POLB P06746 1/20 0.44
MKNK1 Q9BUB5 1/20 0.43
MKNK2 Q9HBH9 1/20 0.43
ITGB3 P05106 4/20 0.41
ITGAV P06756 4/20 0.41
SIRT6 Q8N6T7 1/20 0.41
MEN1 O00255 3/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
ITGB1 P05556 1/20 0.41
ITGA4 P13612 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
OXTR P30559 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
SCHEMBL12463784 1.00 NNMT (0.47) NNMTFFAR1CHRNA7CTSAKMT2A
SCHEMBL4475092 1.00 NNMT (0.47) NNMTFFAR1CHRNA7CTSAKMT2A
SCHEMBL7081677 0.87 NNMT (0.46) NNMTCHRNA7KMT2AALDH1A1POLB
SCHEMBL5091415 0.87 NNMT (0.46) NNMTCHRNA7KMT2AALDH1A1POLB
SCHEMBL16245308 0.86 MEN1 (0.44) NNMTFFAR1CHRNA7CTSAKMT2A
SCHEMBL19144265 0.85 NNMT (0.41) NNMTFFAR1CHRNA7CTSAKMT2A
SCHEMBL19143486 0.85 NNMT (0.41) NNMTFFAR1CHRNA7CTSAKMT2A
SCHEMBL6221566 0.84 ITGB3 (0.50) NNMTFFAR1CHRNA7CTSAKMT2A
SCHEMBL6106081 0.83 NNMT (0.43) NNMTFFAR1CHRNA7KMT2AALDH1A1
SCHEMBL20153392 0.83 NNMT (0.43) NNMTFFAR1CHRNA7KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1230240-B1 PROCESS AND INTERMEDIATES FOR THE PREPARATION OF IMIDAZOLIDINONE ALPHA V INTEGRIN ANTAGONISTS MERCK & CO INC (US) 2003-07-23 EP claimed
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-11884661-B2 3-substituted propionic acids as αV integrin inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2024-01-30 US 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
EP-3538525-B1 3-SUBSTITUTED PROPIONIC ACIDS AS ALPHA V INTEGRIN INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2022-06-22 EP 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
CN-110167935-B 3-substituted propionic acids as alpha V integrin inhibitors 百时美施贵宝公司 2022-05-27 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
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
US-20190256512-A1 PYRROLE AMIDES AS ALPHA V INTEGRIN INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2019-08-22 US disclosed
US-20190134156-A1 TISSUE PROTECTIVE PEPTIDES FOR PREVENTING AND TREATING DISEASES AND DISORDERS ASSOCIATED WITH TISSUE DAMAGE ARAIM PHARMACEUTICALS, INC. 2019-05-09 US 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-3305900-A1 ENZYMATIC ENCODING METHODS FOR EFFICIENT SYNTHESIS OF LARGE LIBRARIES Nuevolution A/S (DK) 2018-04-11 EP disclosed
WO-2017189988-A1 TISSUE PROTECTIVE PEPTIDES FOR PREVENTING AND TREATING DISEASES AND DISORDERS ASSOCIATED WITH TISSUE DAMAGE ARAIM PHARMACEUTICALS, INC. (US) 2017-11-02 WO disclosed
US-20130245283-A1 THERAPEUTIC AND DELIVERY METHODS OF PROSTAGLANDIN EP4 AGONISTS ALLERGAN, INC. (US) 2013-09-19 US disclosed
US-20100280250-A1 THERAPEUTIC AND DELIVERY METHODS OF PROSTAGLANDIN EP4 AGONISTS ALLERGAN, INC. 2010-11-04 US disclosed
US-20070232660-A1 THERAPEUTIC AND DELIVERY METHODS OF PROSTAGLANDIN EP4 AGONISTS ALLERGAN, INC. 2007-10-04 US disclosed
US-6646130-B2 Comprises mixtures of alky esters of 3-(6-methoxy-pyridin-3-yl); for inhibiting bone resorption, restenosis, angiogenesis, diabetic retinopathy, macular degeneration, inflammatory arthritis, cancer, and metastasis MERCK & CO., INC. 2003-11-11 US disclosed
US-20030045555-A1 Process to chiral integrin antagonist beta-amino acid intermediate MERCK SHARP & DOHME CORP. 2003-03-06 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 (9 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-20070232660-A1 THERAPEUTIC AND DELIVERY METHODS OF PROSTAGLANDIN EP4 AGONISTS PTGER4, PTGER1, PTGER3 NNMT 2648/4885FFAR1 100/4885CHRNA7 839/4885
US-20190256512-A1 PYRROLE AMIDES AS ALPHA V INTEGRIN INHIBITORS ITGAV, ITGB1, ITGA1 NNMT 1640/4885FFAR1 1389/4885CHRNA7 1807/4885
US-11884661-B2 3-substituted propionic acids as αV integrin inhibitors ITGB3, ITGB1, ITGAV NNMT 3147/4885FFAR1 272/4885CHRNA7 498/4885
US-20130245283-A1 THERAPEUTIC AND DELIVERY METHODS OF PROSTAGLANDIN EP4 AGONISTS PTGER4, PTGER1, PTGER3 NNMT 2648/4885FFAR1 100/4885CHRNA7 839/4885
US-20030045555-A1 Process to chiral integrin antagonist beta-amino acid intermediate ITGB1, ITGB3, ITGA1 NNMT 2517/4885FFAR1 145/4885CHRNA7 122/4885
US-11292802-B2 Substituted tetrahydropyrrolo[1,2-a]pyrazines as alpha v integrin inhibitors ITGB1, ITGAV, ITGA1 NNMT 3187/4885FFAR1 871/4885CHRNA7 1335/4885
US-20210246136-A1 CYCLOBUTANES- AND AZETIDINE-CONTAINING MONO AND SPIROCYCLIC COMPOUNDS AS ALPHA V INTEGRIN INHIBITORS ITGB1, ITGAV, ITGA1 NNMT 3317/4885FFAR1 1171/4885CHRNA7 673/4885
US-20100280250-A1 THERAPEUTIC AND DELIVERY METHODS OF PROSTAGLANDIN EP4 AGONISTS PTGER4, PTGER1, PTGER3 NNMT 2648/4885FFAR1 100/4885CHRNA7 839/4885
US-11639353-B2 Cyclobutanes- and azetidine-containing mono and spirocyclic compounds as αV integrin inhibitors ITGB1, ITGB2, ITGA1 NNMT 3145/4885FFAR1 1343/4885CHRNA7 862/4885

“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.