SCHEMBL1744149

SCHEMBL1744149

COC(=O)C(Cc1ccc(Cl)cc1)NC(=O)OC(C)(C)C

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KLK5 Q9Y337 1/20 0.57
PPARG P37231 1/20 0.55
PPARA Q07869 1/20 0.55
NOS2 P35228 2/20 0.53
CACNA1B Q00975 1/20 0.53
CTSS P25774 6/20 0.52
CTSK P43235 5/20 0.52
CTSL P07711 2/20 0.51
CTSB P07858 1/20 0.51
ALDH1A1 P00352 1/20 0.51
MAPT P10636 1/20 0.51
ITGB3 P05106 1/20 0.49
ITGA2B P08514 1/20 0.49
ACE P12821 1/20 0.49
GAA P10253 1/20 0.48
SCN9A Q15858 1/20 0.47

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
SCHEMBL1744150 1.00 KLK5 (0.57) KLK5PPARGPPARANOS2CACNA1B
SCHEMBL2292276 0.94 KLK5 (0.52) KLK5PPARGPPARANOS2CACNA1B
SCHEMBL2293362 0.94 KLK5 (0.52) KLK5PPARGPPARANOS2CACNA1B
SCHEMBL2293357 0.94 KLK5 (0.52) KLK5PPARGPPARANOS2CACNA1B
SCHEMBL2292272 0.94 KLK5 (0.52) KLK5PPARGPPARANOS2CACNA1B
SCHEMBL2287574 0.91 KLK5 (0.49) KLK5PPARGPPARANOS2CACNA1B
SCHEMBL3498037 0.91 BCL2 (0.56) KLK5PPARGPPARACACNA1BCTSS
SCHEMBL3498036 0.91 BCL2 (0.56) KLK5PPARGPPARACACNA1BCTSS
SCHEMBL2287570 0.91 KLK5 (0.49) KLK5PPARGPPARANOS2CACNA1B
SCHEMBL29780735 0.90 ALDH1A1 (0.64) KLK5PPARGPPARACACNA1BCTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150274777-A1 KETOAMIDE IMMUNOPROTEASOME INHIBITORS HOFFMANN-LA ROCHE INC. 2015-10-01 US disclosed
EP-2906581-A1 KETOAMIDE IMMUNOPROTEASOME INHIBITORS F. Hoffmann-La Roche AG (CH) 2015-08-19 EP disclosed
WO-2014056748-A1 KETOAMIDE IMMUNOPROTEASOME INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2014-04-17 WO disclosed
EP-2387570-A1 FLUOROISOQUINOLINE SUBSTITUTED THIAZOLE COMPOUNDS AND METHODS OF USE Amgen, Inc (US) 2011-11-23 EP disclosed
US-20110263647-A1 FLUOROISOQUINOLINE SUBSTITUTED THIAZOLE COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2011-10-27 US disclosed
WO-2010083246-A1 FLUOROISOQUINOLINE SUBSTITUTED THIAZOLE COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2010-07-22 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 (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-20110263647-A1 FLUOROISOQUINOLINE SUBSTITUTED THIAZOLE COMPOUNDS AND METHODS OF USE TFEB, PCK2, JAK2 KLK5 1677/4885PPARG 232/4885PPARA 896/4885
US-20150274777-A1 KETOAMIDE IMMUNOPROTEASOME INHIBITORS PSMB7, PSMB5, PSMC2 KLK5 154/4885PPARG 4438/4885PPARA 4499/4885

“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.