SCHEMBL9848816

SCHEMBL9848816

CC(C)(C)OC(=O)NC(CC(=O)O)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP26A1 O43174 1/20 0.60
ITGB3 P05106 1/20 0.49
ITGAV P06756 1/20 0.49
ITGA2B P08514 1/20 0.49
ITGB5 P18084 1/20 0.49
ITGB6 P18564 1/20 0.49
MAPT P10636 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
HTT P42858 2/20 0.49
ALOX5 P09917 1/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
LMNA P02545 2/20 0.46
POLB P06746 1/20 0.46
AURKA O14965 1/20 0.44
RPS6KB1 P23443 1/20 0.44
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 1/20 0.44
PPARG P37231 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
SCHEMBL1374453 1.00 CYP26A1 (0.60) CYP26A1ITGB3ITGAVITGA2BITGB5
SCHEMBL16199337 1.00 CYP26A1 (0.60) CYP26A1ITGB3ITGAVITGA2BITGB5
SCHEMBL10256379 0.90 CYP26A1 (0.49) CYP26A1ITGB3ITGAVITGA2BITGB5
SCHEMBL665809 0.90 CYP26A1 (0.49) CYP26A1MAPTSMN1; SMN2HTTALOX5
SCHEMBL14707639 0.90 CYP26A1 (0.48) CYP26A1ITGB3ITGAVITGA2BITGB5
SCHEMBL9848805 0.88 MAPT (0.54) CYP26A1MAPTSMN1; SMN2HTTALOX5
SCHEMBL6676599 0.88 MAPT (0.51) CYP26A1MAPTSMN1; SMN2HTTALOX5
SCHEMBL9848801 0.88 MAPT (0.54) CYP26A1MAPTSMN1; SMN2HTTALOX5
SCHEMBL9848797 0.88 MAPT (0.54) CYP26A1MAPTSMN1; SMN2HTTALOX5
SCHEMBL31226878 0.88 MAPT (0.54) CYP26A1MAPTSMN1; SMN2HTTALOX5

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
US-9657006-B2 Macrocyclic factor VIIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-05-23 US disclosed
US-20160115159-A1 MACROCYCLIC FACTOR VIIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-04-28 US disclosed
EP-3008052-A1 MACROCYCLIC FACTOR VIIA INHIBITORS Bristol-Myers Squibb Company (US) 2016-04-20 EP disclosed
WO-2014201073-A9 MACROCYCLIC FACTOR VIIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-10-08 WO disclosed
WO-2014201073-A1 MACROCYCLIC FACTOR VIIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-12-18 WO disclosed
EP-0459730-A2 Anti-tumour compounds ZENECA LIMITED (GB) 1991-12-04 EP 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 (1 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-20160115159-A1 MACROCYCLIC FACTOR VIIA INHIBITORS F7, F12, F5 CYP26A1 286/4885ITGB3 551/4885ITGAV 152/4885

“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.