SCHEMBL1450985

SCHEMBL1450985

COc1ccc2oc(CCl)cc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.51
CA2 P00918 3/20 0.50
APP P05067 4/20 0.49
KDM4E B2RXH2 3/20 0.48
ALDH1A1 P00352 3/20 0.48
CA12 O43570 2/20 0.48
CA1 P00915 2/20 0.48
CA9 Q16790 2/20 0.48
HPGD P15428 2/20 0.48
CA3 P07451 1/20 0.48
CA6 P23280 1/20 0.48
CA5A P35218 1/20 0.48
CA7 P43166 1/20 0.48
CA14 Q9ULX7 1/20 0.48
CA5B Q9Y2D0 1/20 0.48
DYRK1A Q13627 1/20 0.48
PDE3B Q13370 1/20 0.47
PDE3A Q14432 1/20 0.47
GPR55 Q9Y2T6 1/20 0.47
MAOB P27338 2/20 0.46

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
SCHEMBL1287525 0.84 CYP2A6 (0.53) CYP2A6CA2APPKDM4EALDH1A1
SCHEMBL13076441 0.83 CYP2A6 (0.51) CYP2A6CA2APPKDM4EALDH1A1
SCHEMBL119001 0.83 CYP2A6 (0.51) CYP2A6CA2APPKDM4EALDH1A1
SCHEMBL6871528 0.83 CA2 (0.54) CYP2A6CA2APPKDM4EALDH1A1
SCHEMBL119314 0.83 CYP2A6 (0.51) CYP2A6CA2APPKDM4EALDH1A1
SCHEMBL1452220 0.81 MAOB (0.51) CYP2A6CA2GPR55MAOBMAPT
SCHEMBL6871889 0.79 MAOB (0.49) CYP2A6CA2APPKDM4EALDH1A1
SCHEMBL2329840 0.79 CYP2A6 (0.47) CYP2A6CA2APPKDM4EALDH1A1
SCHEMBL16623281 0.79 CYP2A6 (0.51) CYP2A6CA2APPKDM4EALDH1A1
SCHEMBL1287554 0.79 CYP2A6 (0.51) CYP2A6CA2APPKDM4EALDH1A1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7910612-B2 4-oxy-N-[1,3,4]-thiadiazol-2-yl-benzene sulfonamides, pharmaceutical compositions and methods for their therapeutic use SANOFI-AVENTIS (FR) 2011-03-22 US disclosed
US-7910612-B2 4-oxy-N-[1,3,4]-thiadiazol-2-yl-benzene sulfonamides, pharmaceutical compositions and methods for their therapeutic use SANOFI-AVENTIS (FR) 2011-03-22 US disclosed
US-7910612-B2 4-oxy-N-[1,3,4]-thiadiazol-2-yl-benzene sulfonamides, pharmaceutical compositions and methods for their therapeutic use SANOFI-AVENTIS (FR) 2011-03-22 US disclosed
US-20090012131-A1 4-OXY-N-[1,3,4]-THIADIAZOL-2-YL-BENZENE SULFONAMIDES, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR THEIR THERAPEUTIC USE SANOFI-AVENTIS (FR) 2009-01-08 US disclosed
US-20090012131-A1 4-OXY-N-[1,3,4]-THIADIAZOL-2-YL-BENZENE SULFONAMIDES, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR THEIR THERAPEUTIC USE SANOFI-AVENTIS (FR) 2009-01-08 US disclosed
US-20090012131-A1 4-OXY-N-[1,3,4]-THIADIAZOL-2-YL-BENZENE SULFONAMIDES, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR THEIR THERAPEUTIC USE SANOFI-AVENTIS (FR) 2009-01-08 US disclosed
EP-1937658-A1 4-OXY-N-[1 ,3,4]-THIADIAZOL-2-YL-BENZENE SULFONAMIDES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS Sanofi-Aventis (FR) 2008-07-02 EP disclosed
WO-2007039171-A1 4-OXY-N-[1 ,3,4]-THIADIAZOL-2-YL-BENZENE SULFONAMIDES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS (DE) 2007-04-12 WO disclosed
WO-2007039171-A1 4-OXY-N-[1 ,3,4]-THIADIAZOL-2-YL-BENZENE SULFONAMIDES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS (DE) 2007-04-12 WO 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 (1 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-20090012131-A1 4-OXY-N-[1,3,4]-THIADIAZOL-2-YL-BENZENE SULFONAMIDES, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR THEIR THERAPEUTIC USE PPARD, PPARA, PPARG CYP2A6 443/4885CA2 4015/4885APP 1636/4885

“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.