SCHEMBL957175

SCHEMBL957175

Cc1cccc(S(=O)(=O)NC(=O)Nc2ncc(SCc3ncc(C(C)(C)C)o3)s2)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNE2 O96020 17/20 0.63
CCNE1 P24864 17/20 0.63
CDK2 P24941 17/20 0.63
CDK4 P11802 10/20 0.63
CCND1 P24385 10/20 0.63
CCNB2 O95067 9/20 0.63
CDK1 P06493 9/20 0.63
CCNB1 P14635 9/20 0.63
CCNB3 Q8WWL7 9/20 0.63
CCND3 P30281 5/20 0.60
CCND2 P30279 3/20 0.60
FBP1 P09467 1/20 0.57
CDK6 Q00534 3/20 0.55
HDAC3 O15379 2/20 0.55
HDAC4 P56524 2/20 0.55
HDAC1 Q13547 2/20 0.55
HDAC7 Q8WUI4 2/20 0.55
HDAC2 Q92769 2/20 0.55
HDAC10 Q969S8 2/20 0.55
HDAC11 Q96DB2 2/20 0.55

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
SCHEMBL958320 0.83 FBP1 (0.64) CCNE2CCNE1CDK2FBP1
SCHEMBL10111964 0.81 CCNE2 (0.80) CCNE2CCNE1CDK2CDK4CCND1
SCHEMBL4734684 0.76 CCNE2 (1.00) CCNE2CCNE1CDK2CDK4CCND1
SCHEMBL5213503 0.75 CCNE2 (1.00) CCNE2CCNE1CDK2CDK4CCND1
SCHEMBL25008210 0.75 CDK2 (1.00) CCNE2CCNE1CDK2CDK4CCND1
SCHEMBL3467435 0.75 CCNE2 (0.72) CCNE2CCNE1CDK2CDK4CCND1
SCHEMBL4211318 0.75 CDK2 (0.67) CCNE2CCNE1CDK2CDK4CCND1
SCHEMBL4207829 0.75 CDK2 (0.67) CCNE2CCNE1CDK2CDK4CCND1
SCHEMBL4211315 0.75 CDK2 (0.67) CCNE2CCNE1CDK2CDK4CCND1
SCHEMBL4207834 0.75 CDK2 (0.67) CCNE2CCNE1CDK2CDK4CCND1

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-7868030-B2 FBPase inhibitors for diabetes HOFFMANN-LA ROCHE INC. (US) 2011-01-11 US claimed
EP-2032548-A1 THIAZOLE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2009-03-11 EP claimed
WO-2007137962-A1 THIAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-12-06 WO claimed
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 claimed
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 CCNE2 1513/4885CCNE1 659/4885CDK2 520/4885

“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.