SCHEMBL20153464

SCHEMBL20153464

Cc1ncc(/C=C/C(=O)OC(C)(C)C)cn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP3A4 P08684 2/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
NR1I2 O75469 1/20 0.38
PGR P06401 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
CYP2C9 P11712 1/20 0.38
SLC6A2 P23975 1/20 0.38
TBXAS1 P24557 1/20 0.38
CYP2C19 P33261 1/20 0.38
DRD3 P35462 1/20 0.38
OPRK1 P41145 1/20 0.38
PDE4D Q08499 1/20 0.38
KCNH2 Q12809 1/20 0.38
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38

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
SCHEMBL26698471 0.85 STK17B (0.39) KDM4EKMT2ASMN1; SMN2CYP3A4LMNA
SCHEMBL998915 0.83 CA12 (0.42) KDM4EKMT2ASMN1; SMN2CYP3A4LMNA
SCHEMBL998917 0.83 CA12 (0.42) KDM4EKMT2ASMN1; SMN2CYP3A4LMNA
SCHEMBL1368515 0.81 ESR1 (0.38) KDM4EKMT2ASMN1; SMN2CYP3A4LMNA
SCHEMBL1368514 0.81 ESR1 (0.38) KDM4EKMT2ASMN1; SMN2CYP3A4LMNA
SCHEMBL9101853 0.81 KDM4E (0.55) KDM4EKMT2ASMN1; SMN2HTTCYP2C9
SCHEMBL9101846 0.81 KDM4E (0.55) KDM4EKMT2ASMN1; SMN2HTTCYP2C9
SCHEMBL4489067 0.80 NR1H4 (0.35) KDM4EKMT2ASMN1; SMN2CYP3A4LMNA
SCHEMBL20153503 0.79 CA12 (0.60) CYP3A4LMNAHTTCA12CA1
SCHEMBL1806220 0.78 NFE2L2 (0.43) KDM4EKMT2ASMN1; SMN2LMNACA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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
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-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-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-11014922-B2 Cyclobutane- and azetidine-containing mono and spirocyclic compounds as αV integrin inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2021-05-25 US disclosed
US-10968219-B2 3-substituted propionic acids as αV integrin inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2021-04-06 US disclosed
US-20200339540-A1 INDAZOLE DERIVATIVES AS ALPHA V INTEGRIN ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2020-10-29 US disclosed
US-10745384-B2 Indazole derivatives as αv integrin antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2020-08-18 US disclosed
US-20190270741-A1 CYCLOBUTANE- AND AZETIDINE-CONTAINING MONO AND SPIROCYCLIC COMPOUNDS AS ALPHA V INTEGRIN INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2019-09-05 US disclosed
US-20190263808-A1 3-SUBSTITUTED PROPIONIC ACIDS AS ALPHA V INTEGRIN INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2019-08-29 US disclosed
US-20190256496-A1 INDAZOLE DERIVATIVES AS ALPHA V INTEGRIN ANTAGONISTS 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-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
WO-2018089353-A1 3-SUBSTITUTED PROPIONIC ACIDS AS ALPHA V INTEGRIN INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-05-17 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 (10 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-20200339540-A1 INDAZOLE DERIVATIVES AS ALPHA V INTEGRIN ANTAGONISTS ITGAV, ITGB1, ITGB3 KDM4E 2806/4885KMT2A 4218/4885SMN1; SMN2 3667/4885
US-20190263808-A1 3-SUBSTITUTED PROPIONIC ACIDS AS ALPHA V INTEGRIN INHIBITORS ITGAV, ITGB3, ITGB1 KDM4E 1484/4885KMT2A 3271/4885SMN1; SMN2 2930/4885
US-11884661-B2 3-substituted propionic acids as αV integrin inhibitors ITGB3, ITGB1, ITGAV KDM4E 2987/4885KMT2A 4023/4885SMN1; SMN2 2768/4885
US-20190270741-A1 CYCLOBUTANE- AND AZETIDINE-CONTAINING MONO AND SPIROCYCLIC COMPOUNDS AS ALPHA V INTEGRIN INHIBITORS ITGB1, ITGAV, ITGA1 KDM4E 2185/4885KMT2A 3659/4885SMN1; SMN2 2576/4885
US-20190256496-A1 INDAZOLE DERIVATIVES AS ALPHA V INTEGRIN ANTAGONISTS ITGAV, ITGB1, ITGB3 KDM4E 2806/4885KMT2A 4218/4885SMN1; SMN2 3667/4885
US-10745384-B2 Indazole derivatives as αv integrin antagonists ITGB3, ITGB1, ITGAV KDM4E 3102/4885KMT2A 4169/4885SMN1; SMN2 3792/4885
US-20210246136-A1 CYCLOBUTANES- AND AZETIDINE-CONTAINING MONO AND SPIROCYCLIC COMPOUNDS AS ALPHA V INTEGRIN INHIBITORS ITGB1, ITGAV, ITGA1 KDM4E 1994/4885KMT2A 3761/4885SMN1; SMN2 2721/4885
US-11639353-B2 Cyclobutanes- and azetidine-containing mono and spirocyclic compounds as αV integrin inhibitors ITGB1, ITGB2, ITGA1 KDM4E 2185/4885KMT2A 3748/4885SMN1; SMN2 2790/4885
US-11014922-B2 Cyclobutane- and azetidine-containing mono and spirocyclic compounds as αV integrin inhibitors ITGB1, ITGB2, ITGA1 KDM4E 2291/4885KMT2A 3517/4885SMN1; SMN2 2636/4885
US-10968219-B2 3-substituted propionic acids as αV integrin inhibitors ITGB3, ITGB1, ITGAV KDM4E 1796/4885KMT2A 3426/4885SMN1; SMN2 2804/4885

“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.