SCHEMBL198586

SCHEMBL198586

CC(C)(C)COS(=O)(=O)c1ccc(Cl)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.44
ALDH1A1 P00352 3/20 0.43
CYP3A4 P08684 1/20 0.43
MAPK1 P28482 1/20 0.43
TSHR P16473 2/20 0.43
RECQL P46063 1/20 0.42
CA12 O43570 3/20 0.41
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41
CA3 P07451 3/20 0.41
CA4 P22748 3/20 0.41
CA6 P23280 3/20 0.41
CA5A P35218 3/20 0.41
CA7 P43166 3/20 0.41
CA9 Q16790 3/20 0.41
CA13 Q8N1Q1 3/20 0.41
CA14 Q9ULX7 3/20 0.41
CA5B Q9Y2D0 3/20 0.41
KDM4E B2RXH2 3/20 0.41
ALPG P10696 1/20 0.40

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
SCHEMBL194330 0.85 PARL (0.39) ALDH1A1CA12CA1CA2CA7
SCHEMBL2513029 0.83 ALDH1A1 (0.46) ALDH1A1CYP3A4CA12CA1CA2
SCHEMBL13160685 0.81 ALDH1A1 (0.46) ALDH1A1CYP3A4MAPK1CA1CA2
SCHEMBL197290 0.81 STS (0.35) TDP1ALDH1A1TSHRRECQL
SCHEMBL3109088 0.81 PLCG1 (0.44) ALDH1A1CA12CA1CA2CA7
SCHEMBL5590961 0.81 PSIP1 (0.43) TDP1ALDH1A1CA12CA1CA2
SCHEMBL197879 0.80 MEN1 (0.44) ALDH1A1KMT2AMEN1
SCHEMBL10838189 0.79 GRIN2D (0.43) TDP1ALDH1A1KDM4EKMT2AMEN1
SCHEMBL27189378 0.79 ALDH1A1 (0.41) ALDH1A1MAPK1KDM4EHPGDHSD17B10
SCHEMBL196945 0.79 ALDH1A1 (0.48) TDP1ALDH1A1CYP3A4MAPK1CA12

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 8 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

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 TDP1 3931/4885ALDH1A1 974/4885CYP3A4 61/4885
US-20100184978-A1 BIPYRIDINE COMPOUND, TRANSITION METAL COMPLEX, AND METHOD FOR PRODUCTION OF CONJUGATED AROMATIC COMPOUND USING THE TRANSITION METAL COMPLEX C9, C5, AP2M1 TDP1 4012/4885ALDH1A1 1092/4885CYP3A4 135/4885
US-20100292481-A1 METHOD FOR PRODUCING CONJUGATED AROMATIC COMPOUND TYR, PAH, AHR TDP1 4605/4885ALDH1A1 816/4885CYP3A4 956/4885

“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.