SCHEMBL20153808

SCHEMBL20153808

CCOC(=O)/C=C/c1cnc(OC)c(C2OCCO2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.45
MAOB P27338 1/20 0.44
DPP4 P27487 2/20 0.41
TTR P02766 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
CYP3A4 P08684 1/20 0.40
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
ACHE P22303 4/20 0.38
BCHE P06276 3/20 0.38
PTGES O14684 1/20 0.38
ALOX5 P09917 2/20 0.37
MET P08581 1/20 0.37
CASP3 P42574 1/20 0.36
SENP8 Q96LD8 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
SCHEMBL20153793 0.78 TTR (0.44) FDPSMAOBDPP4TTRCA12
SCHEMBL20153848 0.77 FDPS (0.51) FDPSMAOBDPP4TTRCA12
SCHEMBL2196358 0.76 CA12 (0.51) FDPSMAOBDPP4TTRCA12
SCHEMBL2196353 0.76 CA12 (0.51) FDPSMAOBDPP4TTRCA12
SCHEMBL6377125 0.71 NPC1 (0.49) FDPSMAOBDPP4TTRCA12
SCHEMBL6377118 0.71 NPC1 (0.49) FDPSMAOBDPP4TTRCA12
SCHEMBL4416144 0.70 CA12 (0.55) FDPSMAOBDPP4TTRCA12
SCHEMBL4416140 0.70 CA12 (0.55) FDPSMAOBDPP4TTRCA12
SCHEMBL29910996 0.70 TTR (0.46) FDPSMAOBDPP4TTRCA12
SCHEMBL20153781 0.70 TTR (0.46) FDPSMAOBDPP4TTRCA12

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 2923/4885DPP4 2947/4885
US-20190256496-A1 INDAZOLE DERIVATIVES AS ALPHA V INTEGRIN ANTAGONISTS ITGAV, ITGB1, ITGB3 FDPS 2494/4885MAOB 2923/4885DPP4 2947/4885
US-10745384-B2 Indazole derivatives as αv integrin antagonists ITGB3, ITGB1, ITGAV FDPS 3064/4885MAOB 2947/4885DPP4 2679/4885
US-11028071-B2 Indazole derivatives as alpha v integrin antagonists ITGAV, ITGB1, ITGB3 FDPS 2494/4885MAOB 2923/4885DPP4 2947/4885

“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.