SCHEMBL957121

SCHEMBL957121

Cc1cc(S(N)(=O)=O)ccc1-c1ccc(F)nc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 13/20 0.56
FBP1 P09467 1/20 0.53
CYP3A4 P08684 1/20 0.47
CYP2A6 P11509 1/20 0.47
CYP2B6 P20813 1/20 0.47
CYP2C19 P33261 1/20 0.47
PTGS1 P23219 10/20 0.46
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
CA12 O43570 1/20 0.45
CA9 Q16790 1/20 0.45
VRK2 Q86Y07 1/20 0.45
PIK3CD O00329 2/20 0.42
PIK3CB P42338 2/20 0.42
PIK3CG P48736 2/20 0.42
PIK3C3 Q8NEB9 2/20 0.42

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
SCHEMBL958258 0.81 CA1 (0.57) PTGS2CYP2A6CA1CA2CA12
SCHEMBL956944 0.80 FBP1 (0.56) FBP1CYP3A4CYP2A6CYP2B6CYP2C19
SCHEMBL27744572 0.76 FBP1 (0.52) FBP1CYP3A4CYP2C19PIK3CDPIK3CG
SCHEMBL6050811 0.75 PTGS2 (0.68) PTGS2CYP3A4CYP2A6CYP2B6CYP2C19
SCHEMBL6050696 0.75 PTGS2 (0.53) PTGS2PTGS1CA1CA2CA12
SCHEMBL20421483 0.74 CA2 (0.50) PTGS2PTGS1CA1CA2CA12
SCHEMBL29555819 0.74 CA2 (0.50) PTGS2PTGS1CA1CA2CA12
SCHEMBL3906957 0.73 CA2 (0.64) PTGS2PTGS1CA1CA2CA12
SCHEMBL6724063 0.71 PTGS2 (1.00) PTGS2PTGS1VRK2
SCHEMBL8974247 0.70 PTGS2 (0.45) PTGS2PTGS1CA1CA2CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7868030-B2 FBPase inhibitors for diabetes HOFFMANN-LA ROCHE INC. (US) 2011-01-11 US disclosed
CN-101454301-A Thiazole derivatives HOFFMANN LA ROCHE (CH) 2009-06-10 CN disclosed
EP-2032548-A1 THIAZOLE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2009-03-11 EP disclosed
WO-2007137962-A1 THIAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-12-06 WO disclosed
US-20070281979-A1 Fructose-1,6-bisphosphatase (FBPase) inhibitors, such as N-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]3(difluoromethoxy)benzenesulfonamide, used as antidiabetic agents HOFFMANN-LA ROCHE INC. 2007-12-06 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 (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-20070281979-A1 Fructose-1,6-bisphosphatase (FBPase) inhibitors, such as N-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]3(difluoromethoxy)benzenesulfonamide, used as antidiabetic agents FBP1, PFKFB1, PFKFB3 PTGS2 4008/4885FBP1 1/4885CYP3A4 645/4885

“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.