SCHEMBL16448142

SCHEMBL16448142

COc1c(F)cc(CC(NC(=O)OC(C)(C)C)C(=O)O)cc1F

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACE P12821 2/20 0.55
PTPN1 P18031 1/20 0.53
ITGB3 P05106 2/20 0.49
ITGA2B P08514 2/20 0.49
CTSS P25774 8/20 0.48
CTSK P43235 7/20 0.48
ITGA4 P13612 2/20 0.48
ITGB7 P26010 2/20 0.48
PPARA Q07869 4/20 0.46
PPARG P37231 3/20 0.46
CTSB P07858 2/20 0.46
CTSL P07711 1/20 0.46
ITGB1 P05556 1/20 0.44
ITGAV P06756 1/20 0.44
ITGB5 P18084 1/20 0.44
KLK5 Q9Y337 1/20 0.43
PPARD Q03181 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
SCHEMBL1516491 0.88 ACE (0.58) ACEPTPN1ITGB3ITGA2BCTSS
SCHEMBL1246367 0.88 ACE (0.58) ACEPTPN1ITGB3ITGA2BCTSS
SCHEMBL21243768 0.88 ACE (0.58) ACEPTPN1ITGB3ITGA2BCTSS
SCHEMBL20422425 0.87 ACE (0.57) ACEPTPN1ITGB3ITGA2BCTSS
SCHEMBL21623778 0.87 ACE (0.57) ACEPTPN1ITGB3ITGA2BCTSS
SCHEMBL20422427 0.87 ACE (0.57) ACEPTPN1ITGB3ITGA2BCTSS
SCHEMBL23574848 0.86 ACE (0.56) ACEPTPN1ITGB3ITGA2BCTSS
SCHEMBL2675118 0.86 ACE (0.56) ACEPTPN1ITGB3ITGA2BCTSS
SCHEMBL10431265 0.86 ACE (0.56) ACEPTPN1ITGB3ITGA2BCTSS
SCHEMBL2675114 0.86 ACE (0.56) ACEPTPN1ITGB3ITGA2BCTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3030560-B1 BENZIMIDAZOLYL-METHYL UREA DERIVATIVES AS ALX RECEPTOR AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2017-06-21 EP disclosed
US-9663473-B2 Benzimidazolyl-methyl urea derivatives as ALX receptor agonists ACTELION PHARMACEUTICALS LTD. (CH) 2017-05-30 US disclosed
US-20160200686-A1 BENZIMIDAZOLYL-METHYL UREA DERIVATIVES AS ALX RECEPTOR AGONISTS IDORSIA PHARMACEUTICALS LTD (CH) 2016-07-14 US disclosed
EP-3030560-A1 BENZIMIDAZOLYL-METHYL UREA DERIVATIVES AS ALX RECEPTOR AGONISTS Actelion Pharmaceuticals Ltd (CH) 2016-06-15 EP disclosed
WO-2015019325-A1 BENZIMIDAZOLYL-METHYL UREA DERIVATIVES AS ALX RECEPTOR AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2015-02-12 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 (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-20160200686-A1 BENZIMIDAZOLYL-METHYL UREA DERIVATIVES AS ALX RECEPTOR AGONISTS UTS2R, ADORA3, P2RX7 ACE 1748/4885PTPN1 3592/4885ITGB3 3095/4885

“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.