SCHEMBL1827446

SCHEMBL1827446

CCOC(=O)[C@H](Cc1ccc(OS(C)(=O)=O)cc1)NC(C)=O

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 3/20 0.48
PPARG P37231 3/20 0.47
PPARA Q07869 4/20 0.46
ITGB3 P05106 1/20 0.44
ITGA2B P08514 1/20 0.44
ACACB O00763 5/20 0.43
GAA P10253 1/20 0.41
RAB9A P51151 1/20 0.41
BACE1 P56817 1/20 0.41
PPARD Q03181 2/20 0.41

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
SCHEMBL1827444 1.00 TACR1 (0.48) TACR1PPARGPPARAITGB3ITGA2B
SCHEMBL1827500 0.90 ITGB3 (0.45) TACR1PPARGITGB3ITGA2BACACB
SCHEMBL1827501 0.90 ITGB3 (0.45) TACR1PPARGITGB3ITGA2BACACB
SCHEMBL2855146 0.86 TACR1 (0.48) TACR1PPARGPPARAITGB3ITGA2B
SCHEMBL2855147 0.86 TACR1 (0.48) TACR1PPARGPPARAITGB3ITGA2B
SCHEMBL1825715 0.86 ITGB3 (0.43) TACR1PPARGPPARAITGB3ITGA2B
SCHEMBL1825712 0.86 ITGB3 (0.43) TACR1PPARGPPARAITGB3ITGA2B
SCHEMBL1823206 0.85 TACR1 (0.62) TACR1PPARGPPARA
SCHEMBL1827669 0.85 TACR1 (0.50) TACR1PPARGPPARA
SCHEMBL1823203 0.85 TACR1 (0.62) TACR1PPARGPPARA

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 TACR1 1743/4885PPARG 3864/4885PPARA 3865/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 TACR1 2452/4885PPARG 2131/4885PPARA 2339/4885

“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.