SCHEMBL197333

SCHEMBL197333

CCCCCCCCCCCCNS(=O)(=O)c1cc(Cl)ccc1Cl

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.68
TSHR P16473 3/20 0.59
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
CYP1A2 P05177 2/20 0.59
CYP3A4 P08684 2/20 0.59
CYP2C19 P33261 2/20 0.59
TP53 P04637 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
HTT P42858 2/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.55
RECQL P46063 1/20 0.54
RAB9A P51151 1/20 0.51
CCR1 P32246 1/20 0.50
CNR1 P21554 1/20 0.49
CNR2 P34972 1/20 0.49
PDK1 Q15118 1/20 0.49
PDK2 Q15119 1/20 0.49
PDK3 Q15120 1/20 0.49

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
SCHEMBL197721 1.00 GAA (0.68) GAATSHRMEN1KMT2ACYP1A2
SCHEMBL9577219 0.92 GAA (0.73) GAATSHRMEN1KMT2ACYP1A2
SCHEMBL9577232 0.84 GAA (0.69) GAATSHRHTTL3MBTL1RAB9A
Octane SCHEMBL1821360 0.81 ALDH1A1 (0.47) GAATSHRMEN1KMT2ACYP1A2
SCHEMBL9577122 0.81 CYP3A4 (0.62) GAATSHRMEN1KMT2ACYP1A2
SCHEMBL3116881 0.81 CNR1 (0.56) GAATSHRMEN1KMT2ACYP1A2
SCHEMBL31014182 0.80 CYP3A4 (0.72) GAATSHRMEN1KMT2ACYP1A2
SCHEMBL6836177 0.80 ACLY (0.61) GAATSHRMEN1KMT2ACYP1A2
SCHEMBL11595168 0.79 TSHR (0.52) GAATSHRMEN1KMT2ACYP1A2
SCHEMBL10455056 0.79 ALDH1A1 (0.63) GAATSHRMEN1KMT2ACYP1A2

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
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
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 GAA 4362/4885TSHR 1144/4885MEN1 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 GAA 4519/4885TSHR 368/4885MEN1 371/4885
US-20080287646-A1 Polyarylene and Method for Producing the Same CYP1A1, C1R, CBR1 GAA 4049/4885TSHR 307/4885MEN1 246/4885
US-20100292481-A1 METHOD FOR PRODUCING CONJUGATED AROMATIC COMPOUND TYR, PAH, AHR GAA 1260/4885TSHR 2878/4885MEN1 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.