SCHEMBL196458

SCHEMBL196458

CC(C)(C)COS(=O)(=O)c1ccc(Br)cc1Br

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.35
TSHR P16473 1/20 0.35
GLA P06280 1/20 0.35
ALDH1A1 P00352 4/20 0.34
MAPK1 P28482 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
HSP90AA1 P07900 1/20 0.33
TLR9 Q9NR96 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
LMNA P02545 3/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.32
HTT P42858 1/20 0.32
RECQL P46063 1/20 0.32
GAA P10253 2/20 0.31
CTSL P07711 1/20 0.31
HSD11B1 P28845 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
SCHEMBL198961 0.87 ALDH1A1 (0.46) SMN1; SMN2TSHRGLAALDH1A1HSP90AA1
SCHEMBL196909 0.83 TSHR (0.38) SMN1; SMN2TSHRGLAALDH1A1NPC1
SCHEMBL6114289 0.82 ALDH1A1 (0.38) SMN1; SMN2TSHRGLAALDH1A1MAPK1
SCHEMBL31167353 0.79 PLCG1 (0.48) CA1CA2TDP1L3MBTL1RECQL
SCHEMBL3109088 0.77 PLCG1 (0.44) SMN1; SMN2ALDH1A1CA1CA2LMNA
SCHEMBL196265 0.77 TSHR (0.39) SMN1; SMN2TSHRALDH1A1MAPK1NPC1
SCHEMBL196764 0.77 TSHR (0.40) SMN1; SMN2TSHRALDH1A1MAPK1NPC1
SCHEMBL3562296 0.75 ATM (0.39) CA1CA2L3MBTL1MEN1KMT2A
SCHEMBL196855 0.74 TSHR (0.41) SMN1; SMN2TSHRGLAALDH1A1LMNA
SCHEMBL197325 0.74 TSHR (0.41) SMN1; SMN2TSHRALDH1A1

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
CN-101341183-B Polyarylene and process for producing the same SUMITOMO CO LTD 2012-06-20 CN 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

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 SMN1; SMN2 3838/4885TSHR 1144/4885GLA 4760/4885
US-20100184978-A1 BIPYRIDINE COMPOUND, TRANSITION METAL COMPLEX, AND METHOD FOR PRODUCTION OF CONJUGATED AROMATIC COMPOUND USING THE TRANSITION METAL COMPLEX C9, C5, AP2M1 SMN1; SMN2 4123/4885TSHR 368/4885GLA 4774/4885
US-20080287646-A1 Polyarylene and Method for Producing the Same CYP1A1, C1R, CBR1 SMN1; SMN2 4161/4885TSHR 307/4885GLA 4185/4885
US-20100292481-A1 METHOD FOR PRODUCING CONJUGATED AROMATIC COMPOUND TYR, PAH, AHR SMN1; SMN2 2455/4885TSHR 2878/4885GLA 2866/4885

“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.