SCHEMBL20153695

SCHEMBL20153695

CCOC(=O)/C=C/c1cnc2c(cnn2C2CCCCO2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 1/20 0.40
▸ RXRB P28702 1/20 0.40
▸ RXRG P48443 1/20 0.40
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ CYP4F2 P78329 2/20 0.38
▸ CYP4A11 Q02928 2/20 0.38
▸ MGLL Q99685 1/20 0.38
▸ P2RY12 Q9H244 2/20 0.37
▸ TTR P02766 1/20 0.37
▸ DPP4 P27487 1/20 0.37
▸ ACHE P22303 2/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ CA12 O43570 1/20 0.36
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ CA7 P43166 1/20 0.36
▸ CA9 Q16790 1/20 0.36

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
SCHEMBL14827612 0.85 RXRA (0.52) RXRARXRBRXRGNPC1RAB9A
SCHEMBL21334896 0.79 NPC1 (0.49) NPC1RAB9ACYP4F2CYP4A11MGLL
SCHEMBL20153771 0.77 CYP4F2 (0.48) NPC1RAB9ACYP4F2CYP4A11MGLL
SCHEMBL18493140 0.77 CYP4F2 (0.46) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL20153853 0.76 CCNC (0.48) NPC1RAB9AP2RY12TTRDPP4
SCHEMBL23429695 0.76 CYP4F2 (0.43) RXRARXRBRXRGNPC1RAB9A
SCHEMBL5019877 0.76 ESR1 (0.47) RXRARXRBRXRGMGLLCA12
SCHEMBL770766 0.76 ESR1 (0.55) RXRARXRBRXRGMGLL
SCHEMBL15236144 0.75 ESR1 (0.47) RXRARXRBRXRGMGLLCCNC
SCHEMBL806447 0.74 ESR1 (0.43) RXRARXRBRXRGMGLLACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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 RXRA 1654/4885RXRB 1064/4885RXRG 1402/4885
US-20190256496-A1 INDAZOLE DERIVATIVES AS ALPHA V INTEGRIN ANTAGONISTS ITGAV, ITGB1, ITGB3 RXRA 1654/4885RXRB 1064/4885RXRG 1402/4885
US-10745384-B2 Indazole derivatives as αv integrin antagonists ITGB3, ITGB1, ITGAV RXRA 2001/4885RXRB 1272/4885RXRG 1786/4885
US-11028071-B2 Indazole derivatives as alpha v integrin antagonists ITGAV, ITGB1, ITGB3 RXRA 1654/4885RXRB 1064/4885RXRG 1402/4885

“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.

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