SCHEMBL4365940

SCHEMBL4365940

O=C(NC(Cc1ccc(OC(F)(F)F)cc1)C(=O)O)c1ccc(OCCCC(F)(F)F)cc1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 6/20 0.58
ITGA2B P08514 5/20 0.58
GPR132 Q9UNW8 2/20 0.53
PPARG P37231 3/20 0.52
FPR2 P25090 1/20 0.52
KLKB1 P03952 1/20 0.51
EPHX2 P34913 1/20 0.49
PPARA Q07869 1/20 0.49
PTPN1 P18031 1/20 0.49
ITGB1 P05556 4/20 0.48
ITGA5 P08648 2/20 0.48
ITGAV P06756 1/20 0.48
ITGA4 P13612 2/20 0.48
CA2 P00918 2/20 0.47
USP30 Q70CQ3 1/20 0.46
CA1 P00915 1/20 0.46

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
SCHEMBL4368718 0.95 ITGB3 (0.56) ITGB3ITGA2BGPR132PPARGFPR2
SCHEMBL4368099 0.91 KLKB1 (0.51) ITGB3ITGA2BGPR132PPARGFPR2
SCHEMBL4375950 0.89 KLKB1 (0.54) ITGB3ITGA2BGPR132PPARGFPR2
SCHEMBL4366047 0.86 KLKB1 (0.53) ITGB3ITGA2BGPR132PPARGKLKB1
SCHEMBL27745461 0.86 KLKB1 (0.58) ITGB3ITGA2BGPR132PPARGKLKB1
SCHEMBL4368574 0.85 KLKB1 (0.51) ITGB3ITGA2BGPR132PPARGFPR2
SCHEMBL4374870 0.85 KLKB1 (0.51) ITGB3ITGA2BGPR132PPARGFPR2
SCHEMBL21931656 0.84 CA2 (0.62) ITGB3ITGA2BGPR132PPARGFPR2
SCHEMBL4361537 0.84 KLKB1 (0.59) ITGB3ITGA2BGPR132PPARGKLKB1
SCHEMBL12029248 0.83 ITGB3 (0.56) ITGB3ITGA2BGPR132PPARGKLKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8344029-B2 Substituted propanamide derivative and pharmaceutical composition containing the same DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-01-01 US disclosed
US-20090292024-A1 SUBSTITUTED PROPANAMIDE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-11-26 US disclosed
CN-101267813-A Substituted propanamide derivative and pharmaceutical composition containing the same DAIICHI SANKYO CO LTD (JP) 2008-09-17 CN disclosed
EP-1908466-A1 SUBSTITUTED PROPANAMIDE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME Daiichi Sankyo Company, Limited (JP) 2008-04-09 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-20090292024-A1 SUBSTITUTED PROPANAMIDE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME PTMS, C1S, ACP3 ITGB3 2667/4885ITGA2B 3988/4885GPR132 391/4885

“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.