SCHEMBL197324

SCHEMBL197324

CC(C)COS(=O)(=O)c1cc(Br)ccc1Br

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.45
NPSR1 Q6W5P4 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
LMNA P02545 1/20 0.38
TSHR P16473 2/20 0.37
GLA P06280 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSP90AA1 P07900 1/20 0.36
TLR9 Q9NR96 1/20 0.36
EDNRB P24530 2/20 0.36
EDNRA P25101 2/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
APLNR P35414 2/20 0.33
PLCG1 P19174 1/20 0.33
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL197303 0.87 TSHR (0.37) ALDH1A1NPSR1MEN1KMT2ALMNA
SCHEMBL198961 0.79 ALDH1A1 (0.46) ALDH1A1NPSR1MEN1KMT2ALMNA
SCHEMBL196869 0.78 ALDH1A1 (0.44) ALDH1A1NPSR1MEN1KMT2ALMNA
SCHEMBL3386673 0.76 PLCG1 (0.48) CA1CA2PLCG1GAAPOLB
SCHEMBL198946 0.74 ALDH1A1 (0.45) ALDH1A1NPSR1TSHRGLASMN1; SMN2
SCHEMBL197770 0.74 ALDH1A1 (0.45) ALDH1A1NPSR1TSHRGLASMN1; SMN2
SCHEMBL16048004 0.73 ALDH1A1 (0.41) ALDH1A1TSHRSMN1; SMN2PLCG1NPC1
SCHEMBL29415332 0.73 ALDH1A1 (0.41) ALDH1A1TSHRSMN1; SMN2PLCG1NPC1
SCHEMBL27857421 0.73 ALDH1A1 (0.50) ALDH1A1NPSR1MEN1KMT2ALMNA
SCHEMBL198764 0.73 CYP1A1 (0.38) PLCG1

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 15 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
CN-101945839-A Process for producing conjugated aromatic compound SUMITOMO CHEMICAL CO 2011-01-12 CN 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
CN-101827854-A Transition metal complex and method for producing conjugated aromatic compound using same SUMITOMO CHEMICAL CO 2010-09-08 CN 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
CN-101772508-A Bipyridine compound, transition metal complex, and method for production of conjugated aromatic compound using the transition metal complex SUMITOMO CHEMICAL CO 2010-07-07 CN 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
CN-101341183-A Polyarylene and process for producing the same SUMITOMO CHEMICAL CO (JP) 2009-01-07 CN 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 974/4885NPSR1 2960/4885MEN1 463/4885
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 1092/4885NPSR1 2252/4885MEN1 371/4885
US-20080287646-A1 Polyarylene and Method for Producing the Same CYP1A1, C1R, CBR1 ALDH1A1 602/4885NPSR1 715/4885MEN1 246/4885
US-20100292481-A1 METHOD FOR PRODUCING CONJUGATED AROMATIC COMPOUND TYR, PAH, AHR ALDH1A1 816/4885NPSR1 2212/4885MEN1 332/4885

“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.