SCHEMBL196817

SCHEMBL196817

CC(C)(C)CNS(=O)(=O)c1cc(I)cc(I)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.42
ALDH1A1 P00352 6/20 0.42
CA1 P00915 4/20 0.40
CA2 P00918 4/20 0.40
CA12 O43570 3/20 0.40
CA9 Q16790 3/20 0.40
NAMPT P43490 2/20 0.37
KMT2A Q03164 2/20 0.37
SIGMAR1 Q99720 1/20 0.35
PIK3CD O00329 1/20 0.34
PIK3CB P42338 1/20 0.34
PIK3CG P48736 1/20 0.34
NPSR1 Q6W5P4 1/20 0.33
ACLY P53396 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ACP1 P24666 1/20 0.32
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL12285528 0.79 CA12 (0.45) CYP2C19ALDH1A1CA1CA2CA12
SCHEMBL196841 0.78 ALDH1A1 (0.42) CYP2C19ALDH1A1CA1CA2CA12
SCHEMBL197058 0.78 FABP4 (0.49) CYP2C19ALDH1A1CA1CA2CA12
SCHEMBL197615 0.74 ALDH1A1 (0.36) CYP2C19ALDH1A1CA1CA2CA12
SCHEMBL12286306 0.74 CYP1A2 (0.54) CYP2C19ALDH1A1NAMPTMAPT
SCHEMBL9281374 0.73 CYP2C19 (0.67) CYP2C19ALDH1A1CA1CA2CA12
SCHEMBL14314016 0.72 ALDH1A1 (0.56) CYP2C19ALDH1A1CA1CA2CA12
SCHEMBL855612 0.72 ALDH1A1 (0.63) ALDH1A1CA1CA2CA12CA9
SCHEMBL4726155 0.70 ALDH1A1 (0.54) ALDH1A1CA1CA2CA12CA9
SCHEMBL13404376 0.70 CA1 (0.41) CYP2C19ALDH1A1CA1CA2CA12

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 CYP2C19 141/4885ALDH1A1 974/4885CA1 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 CYP2C19 157/4885ALDH1A1 1092/4885CA1 1604/4885
US-20080287646-A1 Polyarylene and Method for Producing the Same CYP1A1, C1R, CBR1 CYP2C19 349/4885ALDH1A1 602/4885CA1 1785/4885
US-20100292481-A1 METHOD FOR PRODUCING CONJUGATED AROMATIC COMPOUND TYR, PAH, AHR CYP2C19 1355/4885ALDH1A1 816/4885CA1 1168/4885

“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.