SCHEMBL1822923

SCHEMBL1822923

COC(=O)[C@H](Cc1ccc(-c2ccc(C)cc2)cc1)NC(=O)OC(C)(C)C

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSS P25774 7/20 0.58
CTSK P43235 6/20 0.58
KLK5 Q9Y337 1/20 0.55
ATM Q13315 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
PPARG P37231 1/20 0.51
PPARA Q07869 1/20 0.51
CTSB P07858 2/20 0.49
CTSL P07711 1/20 0.49
BCL2 P10415 2/20 0.48
ITGA4 P13612 1/20 0.48
ITGB7 P26010 1/20 0.48
HDAC1 Q13547 4/20 0.48
HDAC6 Q9UBN7 4/20 0.48
ITGB3 P05106 1/20 0.47
ITGA2B P08514 1/20 0.47
ACE P12821 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
SCHEMBL12035376 0.96 KLK5 (0.58) CTSSCTSKKLK5ATML3MBTL1
SCHEMBL14884536 0.96 KLK5 (0.58) CTSSCTSKKLK5ATML3MBTL1
SCHEMBL13651745 0.96 KLK5 (0.58) CTSSCTSKKLK5ATML3MBTL1
SCHEMBL10033679 0.91 CTSS (0.69) CTSSCTSKKLK5ATMCTSB
SCHEMBL2802961 0.91 CTSS (0.69) CTSSCTSKKLK5ATMCTSB
SCHEMBL1826757 0.91 CTSS (0.69) CTSSCTSKKLK5ATMCTSB
SCHEMBL15870494 0.89 PPARG (0.55) CTSSCTSKKLK5ATML3MBTL1
SCHEMBL17910300 0.89 PPARG (0.55) CTSSCTSKKLK5ATML3MBTL1
SCHEMBL17910302 0.89 PPARG (0.55) CTSSCTSKKLK5ATML3MBTL1
SCHEMBL1826655 0.88 CTSS (0.56) CTSSCTSKKLK5PPARGPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2161254-B1 Intermediate for preparing a biaryl compound SUMITOMO CHEMICAL CO (JP) 2014-08-13 EP disclosed
EP-1481967-B1 PROCESS FOR THE PREPARATION OF BIARYL COMPOUNDS SUMITOMO CHEMICAL CO (JP) 2011-05-04 EP disclosed
EP-1481967-B1 PROCESS FOR THE PREPARATION OF BIARYL COMPOUNDS SUMITOMO CHEMICAL CO (JP) 2011-05-04 EP disclosed
US-7714157-B2 Process for preparing a biaryl compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-05-11 US disclosed
US-7714157-B2 Process for preparing a biaryl compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-05-11 US disclosed
US-7714157-B2 Process for preparing a biaryl compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-05-11 US disclosed
EP-2161254-A1 Intermediate for preparing a biaryl compound Sumitomo Chemical Company, Limited (JP) 2010-03-10 EP disclosed
EP-2161254-A1 Intermediate for preparing a biaryl compound Sumitomo Chemical Company, Limited (JP) 2010-03-10 EP disclosed
US-20070270603-A1 Process for preparing a biaryl compound SUMITOMO CHEMICAL COMPANY, LIMITED 2007-11-22 US disclosed
US-20070270603-A1 Process for preparing a biaryl compound SUMITOMO CHEMICAL COMPANY, LIMITED 2007-11-22 US disclosed
US-20070270603-A1 Process for preparing a biaryl compound SUMITOMO CHEMICAL COMPANY, LIMITED 2007-11-22 US disclosed
US-7271280-B2 Process for preparing a biaryl compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-09-18 US disclosed
US-7271280-B2 Process for preparing a biaryl compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-09-18 US disclosed
US-7271280-B2 Process for preparing a biaryl compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-09-18 US disclosed
US-7091373-B2 Production method for biarylalanine SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-08-15 US disclosed
EP-1481967-A1 PROCESS FOR THE PREPARATION OF BIARYL COMPOUNDS Sumitomo Chemical Company, Limited (JP) 2004-12-01 EP disclosed
US-20040158093-A1 Process for preparing a biaryl compound SUMITOMO CHEMICAL COMPANY, LIMITED 2004-08-12 US disclosed
US-20040024229-A1 Production method for biarylalanine SUMITOMO CHEMICAL COMPANY, LIMITED 2004-02-05 US 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 (3 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-20040024229-A1 Production method for biarylalanine BCAT2, BCAT1, PAH CTSS 1702/4885CTSK 2430/4885KLK5 4410/4885
US-20040158093-A1 Process for preparing a biaryl compound CYP1B1, REL, CYP2F1 CTSS 3179/4885CTSK 4129/4885KLK5 4207/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 CTSS 687/4885CTSK 1578/4885KLK5 1684/4885

“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.