SCHEMBL755963

SCHEMBL755963

COC(=O)[C@H]1CN(Cc2ccc(OC)cc2)C(=O)C[C@@H]1c1cc(F)c(F)cc1F

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.52
CYP3A4 P08684 3/20 0.47
CYP2C19 P33261 2/20 0.47
KMT2A Q03164 1/20 0.46
ALDH1A1 P00352 4/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
MAPK1 P28482 2/20 0.44
ALOX15 P16050 1/20 0.44
LMNA P02545 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
FPR1 P21462 2/20 0.43
FPR2 P25090 2/20 0.43
MMP1 P03956 1/20 0.43
MMP13 P45452 1/20 0.43
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL755964 1.00 DPP4 (0.52) DPP4CYP3A4CYP2C19KMT2AALDH1A1
SCHEMBL16141394 1.00 DPP4 (0.52) DPP4CYP3A4CYP2C19KMT2AALDH1A1
SCHEMBL755965 1.00 DPP4 (0.52) DPP4CYP3A4CYP2C19KMT2AALDH1A1
SCHEMBL757491 0.91 DPP4 (0.55) DPP4CYP3A4CYP2C19KMT2AALDH1A1
SCHEMBL757493 0.91 DPP4 (0.55) DPP4CYP3A4CYP2C19KMT2AALDH1A1
SCHEMBL757492 0.91 DPP4 (0.55) DPP4CYP3A4CYP2C19KMT2AALDH1A1
SCHEMBL1240946 0.90 DPP4 (0.65) DPP4KMT2AALDH1A1SMN1; SMN2MAPK1
SCHEMBL1240941 0.90 DPP4 (0.65) DPP4KMT2AALDH1A1SMN1; SMN2MAPK1
SCHEMBL1240943 0.90 DPP4 (0.65) DPP4KMT2AALDH1A1SMN1; SMN2MAPK1
SCHEMBL4470335 0.84 DPP4 (0.53) DPP4CYP3A4CYP2C19KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9630929-B2 Benzenesulfonamide compounds and their use as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2017-04-25 US disclosed
EP-2773637-B1 BENZENESULFONAMIDE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC (CA) 2016-06-08 EP disclosed
US-20140296245-A1 BENZENESULFONAMIDE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS, INC. (CA) 2014-10-02 US disclosed
EP-2773637-A1 BENZENESULFONAMIDE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS Xenon Pharmaceuticals Inc. (CA) 2014-09-10 EP disclosed
WO-2013064983-A1 BENZENESULFONAMIDE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2013-05-10 WO disclosed
EP-1921917-B1 FUSED AMINOPIPERIDINES AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK SHARP & DOHME (US) 2012-03-21 EP 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 (1 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-20140296245-A1 BENZENESULFONAMIDE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS TRPV1, TRPA1, TRPV3 DPP4 1551/4885CYP3A4 681/4885CYP2C19 1182/4885

“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.