SCHEMBL752447

SCHEMBL752447

COC(=O)c1ccc(NC(=O)c2ccc(O)c(N)c2)nc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DEGS1 O15121 6/20 0.49
RAB9A P51151 3/20 0.47
NPC1 O15118 2/20 0.47
TP53 P04637 2/20 0.47
ALOX15 P16050 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
RECQL P46063 1/20 0.46
MAPK1 P28482 3/20 0.46
HCAR3 P49019 1/20 0.45
MAPT P10636 4/20 0.45
HTT P42858 2/20 0.45
KDM4E B2RXH2 3/20 0.44
GAA P10253 2/20 0.44
ALDH1A1 P00352 2/20 0.44

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
SCHEMBL2650854 0.83 MEN1 (0.51) DEGS1RAB9ANPC1TP53ALOX15
SCHEMBL2653549 0.81 DEGS1 (0.57) DEGS1RAB9ANPC1TP53ALOX15
SCHEMBL24412 0.79 CA12 (0.69) RAB9ANPC1TP53ALOX15SMN1; SMN2
SCHEMBL29357340 0.79 CA12 (0.69) RAB9ANPC1TP53ALOX15SMN1; SMN2
SCHEMBL14505713 0.78 HCAR3 (0.72) DEGS1RAB9ANPC1SMN1; SMN2MEN1
SCHEMBL6795856 0.78 DEGS1 (0.70) DEGS1RAB9ANPC1SMN1; SMN2MEN1
Hydrochloric Acid SCHEMBL945972 0.77 CA12 (0.67) RAB9ANPC1TP53ALOX15SMN1; SMN2
Hydrochloric Acid SCHEMBL31119219 0.77 CA12 (0.67) RAB9ANPC1TP53ALOX15SMN1; SMN2
SCHEMBL3499765 0.76 DEGS1 (0.50) DEGS1RAB9ANPC1TP53ALOX15
SCHEMBL9120878 0.75 CYP3A4 (0.57) DEGS1RAB9ANPC1TP53ALOX15

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101379044-B Heterobicyclic sulfonamide derivatives for the treatment of diabetes HOFFMANN LA ROCHE 2012-04-11 CN disclosed
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
CN-101379044-A Heterobicyclic sulfonamide derivatives for the treatment of diabetes HOFFMANN LA ROCHE (CH) 2009-03-04 CN 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 DEGS1 274/4885RAB9A 4486/4885NPC1 376/4885
US-20100130484-A1 NOVEL BICYCLIC SULFONAMIDE DERIVATIVES WHICH ARE L-CPT1 INHIBITORS CPT1A, CPT1B, CPT2 DEGS1 274/4885RAB9A 4486/4885NPC1 376/4885
US-20070191603-A1 Novel bicyclic sulfonamide derivatives which are L-CPT1 inhibitors CPT1A, CPT1B, CPT2 DEGS1 274/4885RAB9A 4486/4885NPC1 376/4885

“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.