SCHEMBL1827398

SCHEMBL1827398

CC(C)(C)OC(=O)CC(Cc1ccc(OS(C)(=O)=O)cc1)NCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
ATM Q13315 1/20 0.47
ABCB1 P08183 1/20 0.45
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA7 P43166 1/20 0.42
CA14 Q9ULX7 1/20 0.42
TMPRSS11D O60235 1/20 0.40
ITGA4 P13612 2/20 0.39
ITGB7 P26010 2/20 0.39
PPARG P37231 4/20 0.39
PPARA Q07869 3/20 0.39
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
PKM P14618 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 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
SCHEMBL1825066 0.90 ABCB1 (0.48) CA2CA9ATMABCB1CA12
SCHEMBL1824286 0.89 MAOB (0.43) CA9CA12CA7CA14PPARG
SCHEMBL1826648 0.86 P2RX7 (0.52) CA2CA9ATMABCB1P2RX7
SCHEMBL1823782 0.86 TSHR (0.42) PPARGPPARAMAPTTSHRRAB9A
SCHEMBL1826289 0.86 PPARG (0.48) CA2CA9ABCB1CA12CA1
SCHEMBL1827455 0.86 PPARG (0.44) PPARGPPARA
SCHEMBL3576947 0.84 CA12 (0.43) CA2CA9ATMABCB1CA12
SCHEMBL1824337 0.84 SYK (0.53) ATMABCB1PPARGPPARAP2RX7
SCHEMBL1822326 0.83 ATM (0.50) CA2CA9ATMABCB1CA12
SCHEMBL1822652 0.83 ITGA4 (0.58) CA9ATMABCB1CA12CA1

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 CA2 730/4885CA9 776/4885ATM 4601/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 CA2 349/4885CA9 308/4885ATM 4386/4885

“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.