SCHEMBL197705

SCHEMBL197705

Cc1cc(Cl)cc(S(=O)(=O)Cl)c1-c1c(C)cc(Cl)cc1S(=O)(=O)Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 2/20 0.41
CES1 P23141 1/20 0.37
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
FFAR4 Q5NUL3 2/20 0.35
CDK1 P06493 1/20 0.34
CCNB1 P14635 1/20 0.34
CCNA2 P20248 1/20 0.34
CDK2 P24941 1/20 0.34
CDK7 P50613 1/20 0.34
CCNH P51946 1/20 0.34
CCNA1 P78396 1/20 0.34
GAA P10253 1/20 0.34
IDH1 O75874 1/20 0.33
NHERF1 O14745 1/20 0.32
SCN4A P35499 2/20 0.32
ALDH1A1 P00352 2/20 0.31
RAPGEF4 Q8WZA2 1/20 0.31
KCNJ6 P48051 1/20 0.31
KCNJ5 P48544 1/20 0.31

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
SCHEMBL11045768 0.81 TRPV4 (0.44) TRPV4CES1CA1CA2CDK1
SCHEMBL10817520 0.77 KDM4E (0.44) TRPV4GAAALDH1A1
SCHEMBL3609619 0.76 GAA (0.40) TRPV4CES1CA1CA2FFAR4
SCHEMBL11052920 0.76 CA1 (0.42) TRPV4CA1CA2CDK1CCNB1
SCHEMBL3932613 0.76 TRPV4 (0.53) TRPV4CDK1CCNB1CCNA2CDK2
SCHEMBL1199760 0.76 TRPV4 (0.58) TRPV4FFAR4CDK1CCNB1CCNA2
SCHEMBL29948957 0.76 TRPV4 (0.58) TRPV4FFAR4CDK1CCNB1CCNA2
SCHEMBL196430 0.72 TRPV4 (0.65) TRPV4GAAALDH1A1TP53
SCHEMBL788180 0.71 RAPGEF4 (0.38) CES1CA1CA2FFAR4GAA
SCHEMBL196272 0.71 TRPV4 (0.37) TRPV4CA1CA2ALDH1A1

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8293905-B2 Bipyridine compound, transition metal complex, and method for production of conjugated aromatic compound using the transition metal complex SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-10-23 US disclosed
US-8236920-B2 Polyarylene and process for producing the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-08-07 US disclosed
EP-1995265-B1 POLYARYLENE AND PROCESS FOR PRODUCING THE SAME SUMITOMO CHEMICAL CO (JP) 2012-08-01 EP disclosed
US-8088883-B2 Transition metal complex and process for producing conjugated aromatic compound using the transition metal complex SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-01-03 US disclosed
US-20110046336-A1 TRANSITION METAL COMPLEX AND PROCESS FOR PRODUCING CONJUGATED AROMATIC COMPOUND USING THE TRANSITION METAL COMPLEX SUMITOMO CHEMICAL COMPANY, LIMITED 2011-02-24 US disclosed
US-20100184978-A1 BIPYRIDINE COMPOUND, TRANSITION METAL COMPLEX, AND METHOD FOR PRODUCTION OF CONJUGATED AROMATIC COMPOUND USING THE TRANSITION METAL COMPLEX SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-07-22 US disclosed
EP-2192124-A1 TRANSITION METAL COMPLEX AND PROCESS FOR PRODUCING CONJUGATED AROMATIC COMPOUND WITH THE TRANSITION METAL COMPLEX Sumitomo Chemical Company, Limited (JP) 2010-06-02 EP disclosed
EP-2172470-A1 BIPYRIDINE COMPOUND, TRANSITION METAL COMPLEX, AND METHOD FOR PRODUCTION OF CONJUGATED AROMATIC COMPOUND USING THE TRANSITION METAL COMPLEX Sumitomo Chemical Company, Limited (JP) 2010-04-07 EP disclosed
US-20090326188-A1 Method for producing polyarylene SUMITOMO CHEMICAL COMPANY, LIMITED 2009-12-31 US disclosed
EP-2065420-A1 METHOD FOR PRODUCING POLYARYLENE Sumitomo Chemical Company, Limited (JP) 2009-06-03 EP disclosed
US-20090036632-A1 Polyarylene and Process for Producing the Same SUMITOMO CHEMICAL COMPANY, LIMITED 2009-02-05 US disclosed
EP-1995265-A1 POLYARYLENE AND PROCESS FOR PRODUCING THE SAME Sumitomo Chemical Company, Limited (JP) 2008-11-26 EP 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 (3 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-20110046336-A1 TRANSITION METAL COMPLEX AND PROCESS FOR PRODUCING CONJUGATED AROMATIC COMPOUND USING THE TRANSITION METAL COMPLEX C9, C5, AP1M1 TRPV4 256/4885CES1 4641/4885CA1 1511/4885
US-20100184978-A1 BIPYRIDINE COMPOUND, TRANSITION METAL COMPLEX, AND METHOD FOR PRODUCTION OF CONJUGATED AROMATIC COMPOUND USING THE TRANSITION METAL COMPLEX C9, C5, AP2M1 TRPV4 707/4885CES1 4386/4885CA1 1604/4885
US-20090036632-A1 Polyarylene and Process for Producing the Same CYP1A1, CYP1B1, C1R TRPV4 4738/4885CES1 1715/4885CA1 3110/4885

“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.