SCHEMBL1825874

SCHEMBL1825874

Cc1ccc(S(=O)(=O)Oc2ccc(C(C)(O)CNC(=O)OC(C)(C)C)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.49
P2RX7 Q99572 2/20 0.46
ALDH1A1 P00352 2/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
MAPT P10636 1/20 0.46
RECQL P46063 1/20 0.46
ENPP1 P22413 6/20 0.45
ENPP3 O14638 5/20 0.45
ENPP2 Q13822 3/20 0.45
CA12 O43570 5/20 0.44
CA1 P00915 5/20 0.44
CA2 P00918 5/20 0.44
CA9 Q16790 5/20 0.44
PPARG P37231 1/20 0.43
LMNA P02545 1/20 0.41
KDM4E B2RXH2 1/20 0.41
KDM4A O75164 1/20 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
SCHEMBL1823722 0.90 EGFR (0.48) EGFRP2RX7ALDH1A1KMT2AMEN1
SCHEMBL1826091 0.87 GPR17 (0.42) EGFRP2RX7ALDH1A1KMT2AMEN1
SCHEMBL1825034 0.87 EGFR (0.48) EGFRP2RX7ALDH1A1KMT2AMEN1
SCHEMBL1826927 0.86 EGFR (0.47) EGFRP2RX7ALDH1A1KMT2AMEN1
SCHEMBL1825872 0.83 CA1 (0.43) EGFRALDH1A1MAPTENPP1ENPP3
SCHEMBL1827840 0.81 P2RX7 (0.54) EGFRP2RX7ALDH1A1ENPP1LMNA
SCHEMBL1824943 0.79 ENPP1 (0.49) ALDH1A1KMT2AMEN1MAPTRECQL
SCHEMBL1826408 0.79 EGFR (0.46) EGFRP2RX7ALDH1A1KMT2AMEN1
SCHEMBL22487941 0.78 CA2 (0.43) EGFRP2RX7ALDH1A1KMT2AMEN1
SCHEMBL1827447 0.78 CYP2C19 (0.43) EGFRALDH1A1CA12CA1CA2

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 EGFR 1025/4885P2RX7 3606/4885ALDH1A1 1099/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 EGFR 1471/4885P2RX7 2747/4885ALDH1A1 1440/4885

“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.