SCHEMBL1825841

SCHEMBL1825841

COC(=O)C(Cc1ccc(OS(=O)(=O)c2ccccc2)cc1)NCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.52
CA9 Q16790 4/20 0.52
CA7 P43166 2/20 0.52
CA14 Q9ULX7 2/20 0.52
ATM Q13315 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.49
KDM4E B2RXH2 1/20 0.48
KDM4A O75164 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
CA2 P00918 3/20 0.47
P2RX7 Q99572 4/20 0.47
POLB P06746 1/20 0.46
CA1 P00915 2/20 0.46
ALDH1A1 P00352 2/20 0.46
GAA P10253 1/20 0.46
RAB9A P51151 1/20 0.46
HDAC8 Q9BY41 1/20 0.45
TSHR P16473 1/20 0.45
THRB P10828 1/20 0.44

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
SCHEMBL1825842 1.00 CA12 (0.52) CA12CA9CA7CA14ATM
SCHEMBL1825313 0.93 ATM (0.56) CA12CA9CA7CA14ATM
SCHEMBL1825315 0.93 ATM (0.56) CA12CA9CA7CA14ATM
SCHEMBL2835488 0.91 P2RX7 (0.47) CA12CA9CA7CA14KDM4E
SCHEMBL2835487 0.91 P2RX7 (0.47) CA12CA9CA7CA14KDM4E
SCHEMBL1826434 0.90 KDM4E (0.46) CA12CA9CA7CA14KDM4E
SCHEMBL1826435 0.90 KDM4E (0.46) CA12CA9CA7CA14KDM4E
SCHEMBL1829006 0.90 P2RX7 (0.50) KDM4EKDM4AP2RX7ITGA4ITGB7
SCHEMBL1829005 0.90 P2RX7 (0.50) KDM4EKDM4AP2RX7ITGA4ITGB7
SCHEMBL1826854 0.89 ITGA4 (0.56) CA12CA7CA14KDM4EKDM4A

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 CA12 1498/4885CA9 776/4885CA7 370/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 CA12 670/4885CA9 308/4885CA7 78/4885

“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.