SCHEMBL197131

SCHEMBL197131

O=S(=O)(c1cc(Cl)ccc1Cl)N1CCCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 1.00
TSHR P16473 6/20 0.96
L3MBTL1 Q9Y468 2/20 0.96
ALOX15 P16050 1/20 0.96
USP2 O75604 1/20 0.73
POLB P06746 3/20 0.72
KDM4E B2RXH2 2/20 0.72
HTT P42858 2/20 0.68
NPSR1 Q6W5P4 1/20 0.68
HPGD P15428 1/20 0.67
RAB9A P51151 1/20 0.67
KMT2A Q03164 4/20 0.65
PKM P14618 1/20 0.65
TDP1 Q9NUW8 1/20 0.64
ATM Q13315 2/20 0.63
MEN1 O00255 3/20 0.62
SMN1; SMN2 Q16637 1/20 0.60
CNR1 P21554 1/20 0.60

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
SCHEMBL6422908 0.98 TSHR (1.00) ALDH1A1TSHRL3MBTL1ALOX15USP2
SCHEMBL27974979 0.86 ALDH1A1 (0.75) ALDH1A1TSHRL3MBTL1ALOX15USP2
SCHEMBL493523 0.85 ALDH1A1 (0.74) ALDH1A1TSHRL3MBTL1ALOX15USP2
SCHEMBL29060820 0.84 USP2 (1.00) ALDH1A1TSHRL3MBTL1ALOX15USP2
SCHEMBL6422603 0.84 ALDH1A1 (0.73) ALDH1A1TSHRL3MBTL1ALOX15USP2
SCHEMBL15651913 0.84 ALDH1A1 (0.73) ALDH1A1TSHRL3MBTL1ALOX15USP2
SCHEMBL5321593 0.84 ALDH1A1 (0.73) ALDH1A1TSHRL3MBTL1ALOX15USP2
SCHEMBL29451349 0.81 TSHR (0.71) ALDH1A1TSHRL3MBTL1ALOX15POLB
SCHEMBL8671317 0.80 ALDH1A1 (0.67) ALDH1A1TSHRL3MBTL1ALOX15USP2
SCHEMBL18711334 0.80 ALDH1A1 (0.75) ALDH1A1TSHRL3MBTL1ALOX15USP2

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 10 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-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 ALDH1A1 974/4885TSHR 1144/4885L3MBTL1 2833/4885
US-20100184978-A1 BIPYRIDINE COMPOUND, TRANSITION METAL COMPLEX, AND METHOD FOR PRODUCTION OF CONJUGATED AROMATIC COMPOUND USING THE TRANSITION METAL COMPLEX C9, C5, AP2M1 ALDH1A1 1092/4885TSHR 368/4885L3MBTL1 2253/4885
US-20080287646-A1 Polyarylene and Method for Producing the Same CYP1A1, C1R, CBR1 ALDH1A1 602/4885TSHR 307/4885L3MBTL1 427/4885
US-20100292481-A1 METHOD FOR PRODUCING CONJUGATED AROMATIC COMPOUND TYR, PAH, AHR ALDH1A1 816/4885TSHR 2878/4885L3MBTL1 3673/4885

“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.