SCHEMBL10054519

SCHEMBL10054519

O=C(O)CC(Cc1cc(F)ccc1F)NC(=O)OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTRB1 P17538 2/20 0.51
CASP3 P42574 1/20 0.49
ITGB3 P05106 1/20 0.46
ITGA2B P08514 1/20 0.46
CASP1 P29466 8/20 0.45
MGLL Q99685 1/20 0.43
KCNA5 P22460 1/20 0.43
OPRK1 P41145 1/20 0.43
MME P08473 1/20 0.42
ECE1 P42892 1/20 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
SCHEMBL344346 0.88 CTRB1 (0.53) CTRB1CASP3ITGB3ITGA2BCASP1
SCHEMBL344345 0.88 CTRB1 (0.53) CTRB1CASP3ITGB3ITGA2BCASP1
SCHEMBL269879 0.84 ITGB3 (0.52) CTRB1ITGB3ITGA2BMGLLMME
SCHEMBL269878 0.84 ITGB3 (0.52) CTRB1ITGB3ITGA2BMGLLMME
SCHEMBL31732842 0.84 ITGB3 (0.52) CTRB1ITGB3ITGA2BMGLLMME
SCHEMBL6697319 0.84 DPP4 (0.39) CASP3KCNA5MME
SCHEMBL10054446 0.82 MMEL1 (0.42) MME
SCHEMBL10074995 0.82 SYK (0.42) CTRB1CASP3KCNA5OPRK1
SCHEMBL268541 0.82 ALDH1A1 (0.53) OPRK1
SCHEMBL267824 0.82 TACR1 (0.46) CTRB1CASP3MGLL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2418196-A1 Dual alanyl-aminopeptidase and dipeptidyl-peptidase IV inhibitors IMTM GmbH (DE) 2012-02-15 EP disclosed
US-20120028995-A1 NOVEL COMPOUNDS FOR MEDICAL USE AS PEPTIDASE EFFECTORS IMTM GMBH (DE) 2012-02-02 US disclosed
US-20120028995-A1 NOVEL COMPOUNDS FOR MEDICAL USE AS PEPTIDASE EFFECTORS IMTM GMBH (DE) 2012-02-02 US 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-20120028995-A1 NOVEL COMPOUNDS FOR MEDICAL USE AS PEPTIDASE EFFECTORS SERPINB1, CMA1, CPA3 CTRB1 228/4885CASP3 1619/4885ITGB3 4136/4885

“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.