SCHEMBL2803395

SCHEMBL2803395

CC(C)Oc1ccc(C[C@H](NC(=O)OC(C)(C)C)C(=O)O)cc1

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.65
ITGA2B P08514 2/20 0.65
ACE P12821 1/20 0.59
PTPN1 P18031 3/20 0.55
CTSS P25774 6/20 0.53
CTSK P43235 5/20 0.53
CTSL P07711 1/20 0.52
CTSB P07858 1/20 0.52
PPARA Q07869 5/20 0.52
PPARG P37231 4/20 0.52
ITGB1 P05556 1/20 0.52
ITGAV P06756 1/20 0.52
ITGB5 P18084 1/20 0.52
HDAC8 Q9BY41 1/20 0.51
ITGA4 P13612 1/20 0.51
ITGB7 P26010 1/20 0.51
MAPK1 P28482 1/20 0.49
PPARD Q03181 2/20 0.49

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
SCHEMBL2806895 0.89 REN (0.53) ITGB3ITGA2BACEPTPN1CTSS
SCHEMBL2804669 0.89 KLK5 (0.54) ITGB3ITGA2BACECTSSCTSK
SCHEMBL2804671 0.89 KLK5 (0.54) ITGB3ITGA2BACECTSSCTSK
SCHEMBL2806897 0.89 REN (0.53) ITGB3ITGA2BACEPTPN1CTSS
SCHEMBL10349213 0.88 HDAC8 (0.54) ITGB3ITGA2BCTSSCTSKCTSL
SCHEMBL335310 0.87 ITGB3 (0.67) ITGB3ITGA2BACEPTPN1CTSS
SCHEMBL1311509 0.87 ITGB3 (0.67) ITGB3ITGA2BACEPTPN1CTSS
SCHEMBL1062486 0.87 ITGB3 (0.67) ITGB3ITGA2BACEPTPN1CTSS
SCHEMBL5065823 0.87 ITGB3 (0.67) ITGB3ITGA2BACEPTPN1CTSS
SCHEMBL1308867 0.87 ITGB3 (0.67) ITGB3ITGA2BACEPTPN1CTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130296327-A1 SUBSTITUTED HETEROCYLIC COMPOUNDS INCYTE CORPORATION 2013-11-07 US disclosed
US-20130296327-A1 SUBSTITUTED HETEROCYLIC COMPOUNDS INCYTE CORPORATION 2013-11-07 US disclosed
US-20130296327-A1 SUBSTITUTED HETEROCYLIC COMPOUNDS INCYTE CORPORATION 2013-11-07 US disclosed
US-8481732-B2 Substituted heterocyclic compounds INCYTE CORPORATION (US) 2013-07-09 US disclosed
US-8481732-B2 Substituted heterocyclic compounds INCYTE CORPORATION (US) 2013-07-09 US disclosed
US-8481732-B2 Substituted heterocyclic compounds INCYTE CORPORATION (US) 2013-07-09 US disclosed
US-20100240671-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS INCYTE CORPORATION (US) 2010-09-23 US disclosed
US-20100240671-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS INCYTE CORPORATION (US) 2010-09-23 US disclosed
US-20100240671-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS INCYTE CORPORATION (US) 2010-09-23 US disclosed
WO-2010108059-A1 SUBSTITUTED PYRIMIDINE DERIVATIVES AS ANTAGONISTS OF THE HISTAMINE H4 RECEPTOR INCYTE CORPORATION (US) 2010-09-23 WO disclosed
EP-0159396-B1 CARBOXYALKYL PEPTIDE DERIVATIVES G.D. Searle & Co. (US) 1990-06-27 EP disclosed
US-4568666-A COLLAGENASE INHIBITORS, ANTIARTJRITIC AGENTS G. D. SEARLE & CO. (US) 1986-02-04 US disclosed
EP-0159396-A2 Carboxyalkyl peptide derivatives G.D. Searle & Co. (US) 1985-10-30 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 (2 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-20130296327-A1 SUBSTITUTED HETEROCYLIC COMPOUNDS HRH4, HRH2, HRH1 ITGB3 1142/4885ITGA2B 1074/4885ACE 2635/4885
US-20100240671-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS HRH4, HRH2, HRH1 ITGB3 1858/4885ITGA2B 1806/4885ACE 1211/4885

“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.