SCHEMBL956944

SCHEMBL956944

Cc1cc(S(=O)(=O)NC(C)(C)C)ccc1-c1ccc(F)nc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 1/20 0.56
ALOX5AP P20292 11/20 0.47
FEN1 P39748 11/20 0.47
PIK3CD O00329 2/20 0.46
PIK3CG P48736 1/20 0.46
PARG Q86W56 2/20 0.46
PIK3R2 O00459 1/20 0.43
PIK3R1 P27986 1/20 0.43
PIK3R3 Q92569 1/20 0.43
MMP2 P08253 1/20 0.42
MMP9 P14780 1/20 0.42
MMP13 P45452 1/20 0.42
JAK2 O60674 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2A6 P11509 1/20 0.42
CYP2B6 P20813 1/20 0.42
CYP2C19 P33261 1/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL958145 0.83 KCNH2 (0.47) FBP1ALOX5APFEN1PIK3CDPIK3CG
SCHEMBL27744572 0.81 FBP1 (0.52) FBP1PIK3CDPIK3CGPIK3R2PIK3R1
SCHEMBL957121 0.80 PTGS2 (0.56) FBP1PIK3CDPIK3CGCYP3A4CYP2A6
SCHEMBL958259 0.80 PARG (0.46) ALOX5APFEN1PIK3CDPIK3CGPARG
SCHEMBL956799 0.72 FBP1 (1.00) FBP1
SCHEMBL957480 0.68 MEN1 (0.53) PARGJAK2CYP3A4KDM4EALDH1A1
SCHEMBL24304930 0.68 BRD4 (0.48) PIK3CGJAK2KDM4E
SCHEMBL20988223 0.67 KMT2A (0.56) PARGCYP3A4KDM4EALDH1A1
SCHEMBL30855790 0.66 KMT2A (0.69) PARGJAK2CYP3A4KDM4EALDH1A1
SCHEMBL17996181 0.66 KMT2A (0.69) PARGJAK2CYP3A4KDM4EALDH1A1

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 4 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
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 FBP1 1/4885ALOX5AP 4130/4885FEN1 1591/4885

“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.