SCHEMBL197135

SCHEMBL197135

COc1cc(Cl)c(S(=O)(=O)OCC(C)(C)C)cc1Cl

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.47
ALDH1A1 P00352 5/20 0.47
KDM4E B2RXH2 1/20 0.47
GAA P10253 1/20 0.47
POLB P06746 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
MAPT P10636 1/20 0.41
TP53 P04637 2/20 0.40
KMT2A Q03164 1/20 0.40
CYP19A1 P11511 1/20 0.39
LMNA P02545 2/20 0.39
RAB9A P51151 2/20 0.39
TAAR1 Q96RJ0 1/20 0.38
NPSR1 Q6W5P4 2/20 0.38
USP2 O75604 1/20 0.38
MAPK1 P28482 1/20 0.38
GLA P06280 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
SCHEMBL198397 0.94 POLB (0.50) TSHRALDH1A1KDM4EGAAPOLB
SCHEMBL197172 0.89 ALDH1A1 (0.42) TSHRALDH1A1KDM4EGAAPOLB
SCHEMBL1997648 0.88 L3MBTL1 (0.33) TSHRALDH1A1KDM4EGAAPOLB
SCHEMBL196511 0.81 TSHR (0.40) TSHRALDH1A1SMN1; SMN2MAPTKMT2A
SCHEMBL1997649 0.81 CTPS1 (0.30)
SCHEMBL196626 0.78 TRPV4 (0.41) TSHRALDH1A1KDM4EGAAPOLB
SCHEMBL196819 0.78 HTT (0.40) TSHRMAPTKMT2ALMNAGLA
SCHEMBL27103340 0.74 ALDH1A1 (0.56) TSHRALDH1A1KDM4EGAAPOLB
SCHEMBL29612647 0.74 ALDH1A1 (0.43) TSHRALDH1A1KDM4EGAAMAPT
SCHEMBL196674 0.74 ALDH1A1 (0.43) TSHRALDH1A1KDM4EGAAMAPT

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 11 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
EP-1935916-B1 POLYARYLENE AND PROCESS FOR PRODUCING THE SAME SUMITOMO CHEMICAL CO (JP) 2012-05-23 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-20100292481-A1 METHOD FOR PRODUCING CONJUGATED AROMATIC COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED 2010-11-18 US disclosed
EP-2233459-A1 METHOD FOR PRODUCING CONJUGATED AROMATIC COMPOUND Sumitomo Chemical Company, Limited (JP) 2010-09-29 EP 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-20080287646-A1 Polyarylene and Method for Producing the Same SUMITOMO CHEMICAL COMPANY, LIMITED 2008-11-20 US disclosed
EP-1935916-A1 POLYARYLENE AND PROCESS FOR PRODUCING THE SAME Sumitomo Chemical Company, Limited (JP) 2008-06-25 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 (4 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 TSHR 1144/4885ALDH1A1 974/4885KDM4E 1741/4885
US-20100184978-A1 BIPYRIDINE COMPOUND, TRANSITION METAL COMPLEX, AND METHOD FOR PRODUCTION OF CONJUGATED AROMATIC COMPOUND USING THE TRANSITION METAL COMPLEX C9, C5, AP2M1 TSHR 368/4885ALDH1A1 1092/4885KDM4E 2705/4885
US-20080287646-A1 Polyarylene and Method for Producing the Same CYP1A1, C1R, CBR1 TSHR 307/4885ALDH1A1 602/4885KDM4E 1426/4885
US-20100292481-A1 METHOD FOR PRODUCING CONJUGATED AROMATIC COMPOUND TYR, PAH, AHR TSHR 2878/4885ALDH1A1 816/4885KDM4E 524/4885

“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.