SCHEMBL752452

SCHEMBL752452

COC(=O)c1ccc(NC(=O)c2ccc(OCc3ccccc3)c([N+](=O)[O-])c2)nc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.60
KMT2A Q03164 6/20 0.60
MAPT P10636 4/20 0.60
ALDH1A1 P00352 4/20 0.53
GCK P35557 3/20 0.53
CYP3A4 P08684 1/20 0.53
TSHR P16473 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
HTT P42858 2/20 0.52
GAA P10253 1/20 0.52
RAB9A P51151 2/20 0.51
NPC1 O15118 1/20 0.51
CXCR2 P25025 1/20 0.51
LMNA P02545 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
MYC P01106 1/20 0.49
MAX P61244 1/20 0.49
ABCB1 P08183 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
CTSV O60911 1/20 0.48

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
SCHEMBL751415 0.85 KMT2A (0.62) MEN1KMT2AMAPTALDH1A1CYP3A4
SCHEMBL16004812 0.80 MEN1 (0.64) MEN1KMT2AMAPTALDH1A1CYP3A4
SCHEMBL7348393 0.79 SGMS2 (0.65) MEN1KMT2AGCKGAARAB9A
SCHEMBL2652506 0.79 GCK (0.81) MEN1KMT2AGCKCXCR2
SCHEMBL14505828 0.79 GCK (0.60) MEN1KMT2AGCKRAB9ANPC1
SCHEMBL16005076 0.78 MAPT (0.61) MEN1KMT2AMAPTALDH1A1CYP3A4
SCHEMBL751204 0.78 MAPT (0.69) MEN1KMT2AMAPTALDH1A1CYP3A4
SCHEMBL8162400 0.77 SMN1; SMN2 (0.50) MEN1KMT2AMAPTALDH1A1TDP1
SCHEMBL2651548 0.77 GCK (0.64) MEN1KMT2AGCKRAB9ANPC1
SCHEMBL5430262 0.77 GCK (0.72) MEN1KMT2AGCKCXCR2LMNA

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 MEN1 4556/4885KMT2A 2316/4885MAPT 3162/4885
US-20100130484-A1 NOVEL BICYCLIC SULFONAMIDE DERIVATIVES WHICH ARE L-CPT1 INHIBITORS CPT1A, CPT1B, CPT2 MEN1 4556/4885KMT2A 2316/4885MAPT 3162/4885
US-20070191603-A1 Novel bicyclic sulfonamide derivatives which are L-CPT1 inhibitors CPT1A, CPT1B, CPT2 MEN1 4556/4885KMT2A 2316/4885MAPT 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.