SCHEMBL8668331

SCHEMBL8668331

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

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.65
ITGA2B P08514 1/20 0.65
ACE P12821 1/20 0.59
PTPN1 P18031 3/20 0.56
PPARA Q07869 7/20 0.55
PPARG P37231 6/20 0.55
CTSS P25774 6/20 0.53
CTSK P43235 5/20 0.53
PPARD Q03181 2/20 0.52
CTSL P07711 1/20 0.52
CTSB P07858 1/20 0.52
HDAC8 Q9BY41 1/20 0.51
ITGA4 P13612 1/20 0.51
ITGB7 P26010 1/20 0.51

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
SCHEMBL16993952 1.00 ITGB3 (0.65) ITGB3ITGA2BACEPTPN1PPARA
SCHEMBL8669351 1.00 ITGB3 (0.65) ITGB3ITGA2BACEPTPN1PPARA
SCHEMBL13654528 0.90 ITGB3 (0.62) ITGB3ITGA2BACEPTPN1PPARA
SCHEMBL16909032 0.90 ITGB3 (0.65) ITGB3ITGA2BACEPTPN1PPARA
SCHEMBL14343235 0.90 ITGB3 (0.65) ITGB3ITGA2BACEPTPN1PPARA
SCHEMBL1087185 0.90 ITGB3 (0.65) ITGB3ITGA2BACEPTPN1PPARA
SCHEMBL5123922 0.89 ITGB3 (0.52) ITGB3ITGA2BACEPTPN1PPARA
SCHEMBL1972111 0.89 KLK5 (0.54) ITGB3ITGA2BACEPPARAPPARG
SCHEMBL5123928 0.89 ITGB3 (0.52) ITGB3ITGA2BACEPTPN1PPARA
SCHEMBL1311509 0.87 ITGB3 (0.67) ITGB3ITGA2BACEPTPN1PPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5767158-A FOR BLEACHING SKIN SHISEIDO CO., LTD. (JP) 1998-06-16 US claimed
US-7923004-B2 useful in the production of a library of pyrazole derivatives for biological screening; Hepatitis C virus (HCV); ease of crystallization, yield, stability, solubility, hygroscopicity and flowability of the resulting bulk drug XTL BIOPHARMACEUTICALS LTD. (IL) 2011-04-12 US disclosed
US-7923004-B2 useful in the production of a library of pyrazole derivatives for biological screening; Hepatitis C virus (HCV); ease of crystallization, yield, stability, solubility, hygroscopicity and flowability of the resulting bulk drug XTL BIOPHARMACEUTICALS LTD. (IL) 2011-04-12 US disclosed
US-7731949-B2 2010-06-08 US disclosed
US-7731949-B2 2010-06-08 US disclosed
US-20090041723-A1 Compounds and methods for treatment of HCV XTL BIOPHARMACEUTICALS LTD. (IL) 2009-02-12 US disclosed
US-20090041723-A1 Compounds and methods for treatment of HCV XTL BIOPHARMACEUTICALS LTD. (IL) 2009-02-12 US disclosed
US-7439258-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM (CANADA) LTD (CA) 2008-10-21 US disclosed
US-7439258-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM (CANADA) LTD (CA) 2008-10-21 US disclosed
US-5767158-A FOR BLEACHING SKIN SHISEIDO CO., LTD. (JP) 1998-06-16 US disclosed
EP-0728469-A2 An endermic liniment SHISEIDO COMPANY LIMITED (JP) 1996-08-28 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-20090041723-A1 Compounds and methods for treatment of HCV HAVCR2, EIF2AK2, MAVS ITGB3 2071/4885ITGA2B 3715/4885ACE 241/4885

“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.