SCHEMBL20153700

SCHEMBL20153700

CCOC(=O)/C=C/c1cnc2c(c1)OCO2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.47
ALDH1A1 P00352 9/20 0.47
HPGD P15428 3/20 0.47
GAA P10253 1/20 0.47
TTR P02766 1/20 0.46
DPP4 P27487 1/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
MAPT P10636 1/20 0.45
LMNA P02545 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
CYP3A4 P08684 1/20 0.44
FDPS P14324 1/20 0.43
NPC1 O15118 1/20 0.43
POLB P06746 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL20153781 0.90 TTR (0.46) KDM4EALDH1A1HPGDTTRDPP4
SCHEMBL29910996 0.90 TTR (0.46) KDM4EALDH1A1HPGDTTRDPP4
SCHEMBL3565699 0.80 KDM4E (0.72) KDM4EALDH1A1HPGDGAATTR
SCHEMBL3565700 0.80 KDM4E (0.72) KDM4EALDH1A1HPGDGAATTR
SCHEMBL34468091 0.80 KDM4E (0.72) KDM4EALDH1A1HPGDGAATTR
SCHEMBL20153736 0.76 TTR (0.42) KDM4EALDH1A1HPGDTTRDPP4
SCHEMBL2849647 0.74 TTR (0.41) KDM4EALDH1A1HPGDTTRDPP4
SCHEMBL13320457 0.74 TTR (0.41) KDM4EALDH1A1HPGDTTRDPP4
SCHEMBL30970390 0.73 ESR1 (0.46) KDM4EALDH1A1HPGDGAATTR
SCHEMBL27273810 0.73 ESR1 (0.46) KDM4EALDH1A1HPGDGAATTR

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 KDM4E 2806/4885ALDH1A1 986/4885HPGD 2414/4885
US-20190256496-A1 INDAZOLE DERIVATIVES AS ALPHA V INTEGRIN ANTAGONISTS ITGAV, ITGB1, ITGB3 KDM4E 2806/4885ALDH1A1 986/4885HPGD 2414/4885
US-10745384-B2 Indazole derivatives as αv integrin antagonists ITGB3, ITGB1, ITGAV KDM4E 3102/4885ALDH1A1 1153/4885HPGD 2520/4885
US-11028071-B2 Indazole derivatives as alpha v integrin antagonists ITGAV, ITGB1, ITGB3 KDM4E 2806/4885ALDH1A1 986/4885HPGD 2414/4885

“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.