SCHEMBL20153848

SCHEMBL20153848

CCOC(=O)/C=C/c1cnc(OC)c(F)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.51
MAOB P27338 1/20 0.50
CYP3A4 P08684 2/20 0.49
DPP4 P27487 2/20 0.48
TTR P02766 1/20 0.48
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
CA14 Q9ULX7 1/20 0.48
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
ALOX5 P09917 4/20 0.43
STAT3 P40763 2/20 0.43
NFE2L2 Q16236 2/20 0.43
PTGES O14684 1/20 0.43
PTGS1 P23219 1/20 0.43
ACHE P22303 4/20 0.42
BCHE P06276 3/20 0.42

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
SCHEMBL6377118 0.78 NPC1 (0.49) FDPSMAOBCYP3A4DPP4TTR
SCHEMBL6377125 0.78 NPC1 (0.49) FDPSMAOBCYP3A4DPP4TTR
SCHEMBL28392972 0.77 DPP4 (0.40) FDPSMAOBCYP3A4DPP4TTR
SCHEMBL28392975 0.77 DPP4 (0.40) FDPSMAOBCYP3A4DPP4TTR
SCHEMBL20153808 0.77 FDPS (0.45) FDPSMAOBCYP3A4DPP4TTR
SCHEMBL4416144 0.77 CA12 (0.55) FDPSMAOBCYP3A4DPP4TTR
SCHEMBL2303800 0.77 CYP3A4 (0.68) FDPSMAOBCYP3A4DPP4TTR
SCHEMBL28354415 0.77 CYP3A4 (0.68) FDPSMAOBCYP3A4DPP4TTR
SCHEMBL2303796 0.77 CYP3A4 (0.68) FDPSMAOBCYP3A4DPP4TTR
SCHEMBL4416140 0.77 CA12 (0.55) FDPSMAOBCYP3A4DPP4TTR

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 FDPS 2494/4885MAOB 2923/4885CYP3A4 558/4885
US-20190256496-A1 INDAZOLE DERIVATIVES AS ALPHA V INTEGRIN ANTAGONISTS ITGAV, ITGB1, ITGB3 FDPS 2494/4885MAOB 2923/4885CYP3A4 558/4885
US-10745384-B2 Indazole derivatives as αv integrin antagonists ITGB3, ITGB1, ITGAV FDPS 3064/4885MAOB 2947/4885CYP3A4 680/4885
US-11028071-B2 Indazole derivatives as alpha v integrin antagonists ITGAV, ITGB1, ITGB3 FDPS 2494/4885MAOB 2923/4885CYP3A4 558/4885

“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.