SCHEMBL753546

SCHEMBL753546

COC(=O)c1ccc2c(c1)N(S(=O)(=O)c1cccc(Cl)c1)CCO2

nearest known ligand 0.71

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.71
CPT1A P50416 17/20 0.69
CPT2 P23786 8/20 0.69
CPT1B Q92523 15/20 0.62
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
HTR6 P50406 1/20 0.49

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
SCHEMBL752537 0.89 CYP2C9 (0.79) CYP2C9CPT1ACPT2CPT1BCYP3A4
SCHEMBL31750313 0.89 CYP2C9 (0.79) CYP2C9CPT1ACPT2CPT1BCYP3A4
SCHEMBL18581708 0.88 CYP2C9 (0.82) CYP2C9CPT1ACPT2CPT1BHTR6
SCHEMBL34475705 0.88 CYP2C9 (0.71) CYP2C9CPT1ACPT2CPT1BCYP3A4
SCHEMBL31750691 0.88 CYP2C9 (0.71) CYP2C9CPT1ACPT2CPT1BCYP3A4
SCHEMBL34474497 0.88 CYP2C9 (0.71) CYP2C9CPT1ACPT2CPT1B
SCHEMBL34475535 0.88 CYP2C9 (0.71) CYP2C9CPT1ACPT2CPT1B
SCHEMBL750406 0.87 CPT1A (0.80) CYP2C9CPT1ACPT2CPT1BHTR6
SCHEMBL750890 0.83 CYP2C9 (0.84) CYP2C9CPT1ACPT2CPT1B
SCHEMBL31751634 0.83 CYP2C9 (0.64) CYP2C9CPT1ACPT2CPT1BCYP3A4

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
EP-1996563-B1 HETEROBICYCLIC SULFONAMIDE DERIVATIVES FOR THE TREATMENT OF DIABETES HOFFMANN LA ROCHE (CH) 2012-03-21 EP disclosed
US-8030308-B2 Bicyclic sulfonamide derivatives which are L-CPT 1 inhibitors HOFFMANN-LA ROCHE INC. (US) 2011-10-04 US disclosed
US-20110046112-A1 NOVEL BICYCLIC SULFONAMIDE DERIVATIVES WHICH ARE L-CPT1 INHIBITORS ACKERMANN JEAN 2011-02-24 US disclosed
US-7879845-B2 Liver carnitine-dependent palmitoyltransferase (L-CPT1) inhibitors such as 4-{[4-(5-Chloro-2-methoxy-benzenesulfonyl)-3,4-dihydro-2H-benzo[1,4]thiazine-6-carbonyl]-amino}-benzoic acid, used for the treatment of non-insulin dependent diabetes; antidiabetic agents HOFFMANN-LA ROCHE INC. (US) 2011-02-01 US disclosed
US-20100130484-A1 NOVEL BICYCLIC SULFONAMIDE DERIVATIVES WHICH ARE L-CPT1 INHIBITORS ACKERMANN JEAN 2010-05-27 US disclosed
US-7696200-B2 Bicyclic sulfonamide derivatives which are L-CPT1 inhibitors HOFFMANN-LA ROCHE INC. (US) 2010-04-13 US disclosed
EP-1996563-A1 HETEROBICYCLIC SULFONAMIDE DERIVATIVES FOR THE TREATMENT OF DIABETES F.HOFFMANN-LA ROCHE AG (CH) 2008-12-03 EP disclosed
WO-2007093507-A1 HETEROBICYCLIC SULFONAMIDE DERIVATIVES FOR THE TREATMENT OF DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2007-08-23 WO disclosed
US-20070191603-A1 Novel bicyclic sulfonamide derivatives which are L-CPT1 inhibitors F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2007-08-16 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 (3 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-20110046112-A1 NOVEL BICYCLIC SULFONAMIDE DERIVATIVES WHICH ARE L-CPT1 INHIBITORS CPT1A, CPT1B, CPT2 CYP2C9 379/4885CPT1A 1/4885CPT2 3/4885
US-20100130484-A1 NOVEL BICYCLIC SULFONAMIDE DERIVATIVES WHICH ARE L-CPT1 INHIBITORS CPT1A, CPT1B, CPT2 CYP2C9 379/4885CPT1A 1/4885CPT2 3/4885
US-20070191603-A1 Novel bicyclic sulfonamide derivatives which are L-CPT1 inhibitors CPT1A, CPT1B, CPT2 CYP2C9 379/4885CPT1A 1/4885CPT2 3/4885

“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.