SCHEMBL752542

SCHEMBL752542

CCOC(=O)c1ccc(NC(=O)c2ccc3c(c2)N(S(=O)(=O)c2cccc(C(F)(F)F)c2)CCO3)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPT1A P50416 9/20 0.60
CPT2 P23786 7/20 0.60
MAPT P10636 6/20 0.58
ALDH1A1 P00352 3/20 0.58
TP53 P04637 3/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
USP2 O75604 2/20 0.58
MAPK1 P28482 2/20 0.58
MEN1 O00255 1/20 0.58
LMNA P02545 1/20 0.58
GAA P10253 1/20 0.58
KMT2A Q03164 1/20 0.58
CPT1B Q92523 7/20 0.55
CYP2C9 P11712 2/20 0.50
TSHR P16473 2/20 0.49
RAB9A P51151 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
RORC P51449 2/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C19 P33261 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
SCHEMBL755030 0.92 CPT1A (0.64) CPT1ACPT2MAPTALDH1A1TP53
SCHEMBL765427 0.90 CPT1A (0.62) CPT1ACPT2MAPTALDH1A1TP53
SCHEMBL752531 0.89 CPT1A (0.77) CPT1ACPT2MAPTALDH1A1TP53
SCHEMBL755717 0.88 CPT1A (0.76) CPT1ACPT2MAPTCPT1BRORC
SCHEMBL752496 0.88 CPT1A (0.59) CPT1ACPT2MAPTALDH1A1TP53
SCHEMBL753485 0.86 CPT1A (0.68) CPT1ACPT2MAPTALDH1A1TP53
SCHEMBL3570060 0.85 CPT1A (0.71) CPT1ACPT2MAPTALDH1A1TP53
SCHEMBL751492 0.82 CPT1A (0.80) CPT1ACPT2CPT1BRORC
SCHEMBL754059 0.82 CPT1A (0.67) CPT1ACPT2MAPTALDH1A1TP53
SCHEMBL752101 0.81 CPT1A (0.79) CPT1ACPT2MAPTALDH1A1TP53

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 1/4885CPT2 3/4885MAPT 3162/4885
US-20100130484-A1 NOVEL BICYCLIC SULFONAMIDE DERIVATIVES WHICH ARE L-CPT1 INHIBITORS CPT1A, CPT1B, CPT2 CPT1A 1/4885CPT2 3/4885MAPT 3162/4885
US-20070191603-A1 Novel bicyclic sulfonamide derivatives which are L-CPT1 inhibitors CPT1A, CPT1B, CPT2 CPT1A 1/4885CPT2 3/4885MAPT 3162/4885

“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.