SCHEMBL752547

SCHEMBL752547

Cc1cc(C)cc(S(=O)(=O)N2CCSc3ccc(C(=O)Nc4ccc(C(=O)OC(C)(C)C)cc4)cc32)c1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPT1A P50416 10/20 0.77
CPT1B Q92523 9/20 0.77
CPT2 P23786 7/20 0.77
MAPT P10636 5/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
TP53 P04637 1/20 0.49
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
KDM4E B2RXH2 2/20 0.48
STAT3 P40763 2/20 0.48
MAPK1 P28482 1/20 0.48
PPARG P37231 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
NR2E3 Q9Y5X4 1/20 0.48
NCOR2 Q9Y618 1/20 0.48
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
KMT2A Q03164 1/20 0.47
CNR1 P21554 1/20 0.46
CNR2 P34972 1/20 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
SCHEMBL27731296 0.91 CPT1A (0.75) CPT1ACPT1BCPT2MAPTSMN1; SMN2
SCHEMBL754234 0.90 CPT1A (0.62) CPT1ACPT1BCPT2MAPTKDM4E
SCHEMBL30016318 0.87 CPT1A (1.00) CPT1ACPT1BCPT2MAPTSMN1; SMN2
SCHEMBL752359 0.87 CPT1A (1.00) CPT1ACPT1BCPT2MAPTSMN1; SMN2
SCHEMBL751968 0.86 CPT1A (0.77) CPT1ACPT1BCPT2MAPTSMN1; SMN2
SCHEMBL751559 0.82 CPT1A (0.82) CPT1ACPT1BCPT2
SCHEMBL1263301 0.81 CPT1A (0.51) CPT1ACPT1BCPT2MAPTSMN1; SMN2
SCHEMBL753424 0.81 CPT1A (0.68) CPT1ACPT1BCPT2MAPTSMN1; SMN2
SCHEMBL27751900 0.78 CPT1A (0.75) CPT1ACPT1BCPT2MAPTSMN1; SMN2
SCHEMBL27731294 0.78 CPT1A (0.58) CPT1ACPT1BCPT2MAPTSMN1; SMN2

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 CPT1A 1/4885CPT1B 2/4885CPT2 3/4885
US-20100130484-A1 NOVEL BICYCLIC SULFONAMIDE DERIVATIVES WHICH ARE L-CPT1 INHIBITORS CPT1A, CPT1B, CPT2 CPT1A 1/4885CPT1B 2/4885CPT2 3/4885
US-20070191603-A1 Novel bicyclic sulfonamide derivatives which are L-CPT1 inhibitors CPT1A, CPT1B, CPT2 CPT1A 1/4885CPT1B 2/4885CPT2 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.