SCHEMBL15420609

SCHEMBL15420609

CCS(=O)(=O)N[C@H]1CCSC[C@@H]1COc1ccc(-n2cc(C#N)cn2)cc1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 10/20 0.39
IDH1 O75874 1/20 0.37
GCGR P47871 1/20 0.36
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
RET P07949 1/20 0.31
AR P10275 1/20 0.30

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
SCHEMBL15420007 0.92 SCN9A (0.40) SCN9AIDH1GCGR
SCHEMBL15420604 0.89 GCGR (0.33) IDH1GCGR
SCHEMBL15420569 0.88 GCGR (0.33) SCN9AIDH1GCGR
SCHEMBL15420366 0.88 SCN9A (0.36) SCN9AIDH1AR
SCHEMBL15441577 0.84 SCN9A (0.37) SCN9AIDH1GCGRCYP11B1CYP11B2
SCHEMBL15420046 0.84 SCN9A (0.37) SCN9AIDH1GCGRCYP11B1CYP11B2
SCHEMBL15420134 0.82 IDH1 (0.38) SCN9AIDH1GCGRCYP11B1CYP11B2
SCHEMBL15420131 0.82 IDH1 (0.38) SCN9AIDH1GCGRCYP11B1CYP11B2
SCHEMBL15420589 0.82 IDH1 (0.38) SCN9AIDH1GCGRCYP11B1CYP11B2
SCHEMBL15420228 0.81 GCGR (0.31) GCGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2694472-B1 SULFONAMIDE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICALS CO (JP) 2020-03-11 EP disclosed
US-9527807-B2 Sulfonamide derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-12-27 US disclosed
US-9527807-B2 Sulfonamide derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-12-27 US disclosed
US-9527807-B2 Sulfonamide derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-12-27 US disclosed
US-20140024650-A1 SULFONAMIDE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-01-23 US disclosed
US-20140024650-A1 SULFONAMIDE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-01-23 US disclosed
US-20140024650-A1 SULFONAMIDE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-01-23 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 (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-20140024650-A1 SULFONAMIDE DERIVATIVE AND USE THEREOF GRIN2A, GRIN2B, SLC1A2 SCN9A 648/4885IDH1 2051/4885GCGR 2283/4885

“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.