SCHEMBL1827405

SCHEMBL1827405

CC(C)OC(=O)[C@H](Cc1cccc(OS(C)(=O)=O)c1)NCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.43
PLAU P00749 1/20 0.43
PLAT P00750 1/20 0.43
OPRK1 P41145 1/20 0.42
MME P08473 2/20 0.40
ACE P12821 2/20 0.40
CPA1 P15085 2/20 0.40
ACE2 Q9BYF1 2/20 0.40
POLB P06746 1/20 0.39
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
PSMB5 P28074 1/20 0.39
CASR P41180 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ITGA4 P13612 1/20 0.39
ITGB7 P26010 1/20 0.39
MEP1B Q16820 2/20 0.38
CD274 Q9NZQ7 1/20 0.38
ATM Q13315 1/20 0.38

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
SCHEMBL1823192 0.90 POLB (0.48) FAAHPOLBMEN1KMT2AATM
SCHEMBL1827689 0.89 PLAU (0.44) FAAHPLAUPLATOPRK1MME
SCHEMBL1827970 0.89 CA12 (0.43) PPARGPPARAPSMB5MEN1KMT2A
SCHEMBL1827972 0.89 CA12 (0.43) PPARGPPARAPSMB5MEN1KMT2A
SCHEMBL1822069 0.88 FAAH (0.44) FAAHMMEACECPA1ACE2
SCHEMBL1826245 0.88 ITGA4 (0.49) FAAHMMEACECPA1ACE2
SCHEMBL1826608 0.86 ITGA4 (0.53) FAAHACEPOLBPPARGPPARA
SCHEMBL1823812 0.86 PLAU (0.43) PLAUPLATKMT2AATM
SCHEMBL1827586 0.84 PLAU (0.46) FAAHPLAUPLATOPRK1MME
SCHEMBL1826413 0.84 CTSL (0.48) PLAUPLAT

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 FAAH 2017/4885PLAU 4857/4885PLAT 4864/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 FAAH 1771/4885PLAU 4788/4885PLAT 4392/4885

“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.