SCHEMBL196466

SCHEMBL196466

CC(C)COS(=O)(=O)c1cc(Cl)cc(Cl)c1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 1/20 0.39
SOD1 P00441 1/20 0.34
CNR1 P21554 2/20 0.34
ADAM17 P78536 1/20 0.33
NR3C1 P04150 1/20 0.33
FABP4 P15090 2/20 0.33
KDM1A O60341 1/20 0.33
GRN P28799 1/20 0.32
SORT1 Q99523 1/20 0.32
TSHR P16473 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
S100A9 P06702 1/20 0.32
SCN4A P35499 2/20 0.32
ALDH1A1 P00352 2/20 0.32
PGR P06401 1/20 0.31
NPSR1 Q6W5P4 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
SCHEMBL15759864 0.80 SOD1 (0.36) CYP1A1SOD1FABP4TSHRS100A9
SCHEMBL6115293 0.79 SOD1 (0.38) SOD1CNR1FABP4TSHRS100A9
SCHEMBL199293 0.79 CA1 (0.30)
SCHEMBL198764 0.79 CYP1A1 (0.38) CYP1A1
SCHEMBL27727040 0.77 S100A9 (0.35) NR3C1GRNSORT1S100A9PGR
SCHEMBL196813 0.76 ALDH1A1 (0.36) CYP1A1SOD1CNR1NR3C1TSHR
SCHEMBL197290 0.76 STS (0.35) SOD1CNR1FABP4GRNSORT1
SCHEMBL776370 0.74 RAB9A (0.47) TSHRTDP1ALDH1A1
SCHEMBL197124 0.74 RAB9A (0.45) TSHRTDP1L3MBTL1ALDH1A1
SCHEMBL196859 0.74 TSHR (0.37) KDM1ATSHRTDP1L3MBTL1ALDH1A1

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 CYP1A1 8/4885SOD1 56/4885CNR1 3491/4885
US-20100184978-A1 BIPYRIDINE COMPOUND, TRANSITION METAL COMPLEX, AND METHOD FOR PRODUCTION OF CONJUGATED AROMATIC COMPOUND USING THE TRANSITION METAL COMPLEX C9, C5, AP2M1 CYP1A1 9/4885SOD1 213/4885CNR1 2506/4885
US-20080287646-A1 Polyarylene and Method for Producing the Same CYP1A1, C1R, CBR1 CYP1A1 1/4885SOD1 903/4885CNR1 243/4885
US-20100292481-A1 METHOD FOR PRODUCING CONJUGATED AROMATIC COMPOUND TYR, PAH, AHR CYP1A1 157/4885SOD1 14/4885CNR1 4345/4885

“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.