SCHEMBL196783

SCHEMBL196783

O=S(=O)(Oc1ccccc1)c1cccc(Cl)c1

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.66
PGR P06401 7/20 0.54
ALDH1A1 P00352 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
APEX1 P27695 1/20 0.47
ENPP3 O14638 1/20 0.47
ENPP1 P22413 1/20 0.47
GPR17 Q13304 1/20 0.44
HTR1A P08908 1/20 0.44
HTR7 P34969 1/20 0.44
MAOB P27338 1/20 0.44

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
SCHEMBL30626036 1.00 TDP1 (0.66) TDP1PGRALDH1A1SMN1; SMN2APEX1
SCHEMBL2238589 0.89 TDP1 (0.66) TDP1PGRALDH1A1SMN1; SMN2ENPP3
SCHEMBL19146 0.80 TDP1 (0.73) TDP1ALDH1A1SMN1; SMN2ENPP3ENPP1
SCHEMBL7981247 0.80 TDP1 (0.73) TDP1ALDH1A1SMN1; SMN2ENPP3ENPP1
SCHEMBL6916208 0.80 TDP1 (0.53) TDP1ALDH1A1SMN1; SMN2MAOB
SCHEMBL6912531 0.79 TDP1 (1.00) TDP1PGRSMN1; SMN2APEX1ENPP3
SCHEMBL165491 0.79 TDP1 (1.00) TDP1PGRSMN1; SMN2APEX1ENPP3
SCHEMBL197331 0.79 TDP1 (0.85) TDP1PGRALDH1A1SMN1; SMN2APEX1
SCHEMBL11843618 0.79 TDP1 (0.49) TDP1PGRALDH1A1SMN1; SMN2APEX1
SCHEMBL11775516 0.79 TDP1 (0.49) TDP1PGRALDH1A1SMN1; SMN2ENPP3

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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 3931/4885PGR 464/4885ALDH1A1 974/4885
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 4012/4885PGR 218/4885ALDH1A1 1092/4885

“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.