SCHEMBL1827586

SCHEMBL1827586

CC(=O)N[C@@H](Cc1cccc(OS(C)(=O)=O)c1)C(=O)OC(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 1/20 0.46
PLAT P00750 1/20 0.46
TACR1 P25103 3/20 0.44
FAAH O00519 1/20 0.40
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
MME P08473 2/20 0.39
ACE P12821 2/20 0.39
CPA1 P15085 2/20 0.39
ACE2 Q9BYF1 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
OPRK1 P41145 1/20 0.39
ACACB O00763 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39

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
SCHEMBL1826460 0.90 CA12 (0.47) PLAUPLATTACR1ALDH1A1CA12
SCHEMBL1827669 0.87 TACR1 (0.50) TACR1FAAHPPARGPPARAMME
SCHEMBL1826630 0.87 PLAU (0.48) PLAUPLATTACR1FAAHMME
SCHEMBL1826413 0.86 CTSL (0.48) PLAUPLATTACR1ALDH1A1CA1
SCHEMBL3569956 0.86 CTSS (0.46) PLAUPLATPPARAACE
SCHEMBL1825715 0.86 ITGB3 (0.43) TACR1PPARGPPARAKDM4EALDH1A1
SCHEMBL1825712 0.86 ITGB3 (0.43) TACR1PPARGPPARAKDM4EALDH1A1
SCHEMBL1824980 0.85 TACR1 (0.43) TACR1FAAHPPARGPPARAMAPT
SCHEMBL1824599 0.85 TACR1 (0.60) TACR1FAAHPPARGPPARAMME
SCHEMBL1822693 0.85 PLAU (0.47) PLAUPLATTACR1MAPT

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 8 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
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
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
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

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-20040158093-A1 Process for preparing a biaryl compound CYP1B1, REL, CYP2F1 PLAU 4857/4885PLAT 4864/4885TACR1 1743/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 PLAU 4788/4885PLAT 4392/4885TACR1 2452/4885

“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.