SCHEMBL197038

SCHEMBL197038

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
GLA P06280 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
EDNRB P24530 2/20 0.46
EDNRA P25101 2/20 0.46
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
GAA P10253 1/20 0.42
CNR2 P34972 4/20 0.41
CNR1 P21554 3/20 0.41
POLB P06746 1/20 0.41
CTSL P07711 2/20 0.40
CTSS P25774 2/20 0.40
CTSK P43235 2/20 0.40
PKM P14618 1/20 0.40
CTSC P53634 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
SCHEMBL8060863 0.80 ALDH1A1 (0.52) ALDH1A1GLASMN1; SMN2MEN1KMT2A
SCHEMBL8056804 0.79 CTSL (0.48) ALDH1A1GLASMN1; SMN2EDNRBEDNRA
SCHEMBL4726155 0.77 ALDH1A1 (0.54) ALDH1A1CA1CA2GAA
SCHEMBL26921226 0.77 ALDH1A1 (0.46) ALDH1A1GLASMN1; SMN2EDNRBEDNRA
SCHEMBL18706988 0.76 ALDH1A1 (0.49) ALDH1A1GLASMN1; SMN2EDNRBEDNRA
SCHEMBL8053790 0.75 L3MBTL1 (0.47) ALDH1A1GLASMN1; SMN2EDNRBEDNRA
SCHEMBL198379 0.75 RECQL (0.69) ALDH1A1GLASMN1; SMN2EDNRBEDNRA
SCHEMBL196418 0.75 RECQL (0.69) ALDH1A1GLASMN1; SMN2EDNRBEDNRA
SCHEMBL196841 0.74 ALDH1A1 (0.42) ALDH1A1GLASMN1; SMN2KMT2ACA1
SCHEMBL3782496 0.71 GLA (0.52) ALDH1A1GLASMN1; SMN2EDNRBEDNRA

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 974/4885GLA 4760/4885SMN1; SMN2 3838/4885
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 1092/4885GLA 4774/4885SMN1; SMN2 4123/4885
US-20080287646-A1 Polyarylene and Method for Producing the Same CYP1A1, C1R, CBR1 ALDH1A1 602/4885GLA 4185/4885SMN1; SMN2 4161/4885
US-20100292481-A1 METHOD FOR PRODUCING CONJUGATED AROMATIC COMPOUND TYR, PAH, AHR ALDH1A1 816/4885GLA 2866/4885SMN1; SMN2 2455/4885

“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.