SCHEMBL15420530

SCHEMBL15420530

CS(=O)(=O)N[C@H]1CCOC[C@@H]1COc1cc(F)c(-n2cc(Cl)cn2)cc1F

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 17/20 0.37
CYP46A1 Q9Y6A2 1/20 0.34
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
SCN5A Q14524 2/20 0.33
SMO Q99835 1/20 0.32

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
SCHEMBL12989035 0.92 SCN9A (0.34) SCN9ACYP46A1CYP3A4CYP2D6CYP2C9
SCHEMBL12989999 0.87 SCN9A (0.35) SCN9ACYP46A1CYP3A4CYP2D6CYP2C9
SCHEMBL15420551 0.87 CYP46A1 (0.33) SCN9ACYP46A1SCN5A
SCHEMBL12989451 0.86 CYP46A1 (0.35) SCN9ACYP46A1
SCHEMBL15420309 0.85 CYP46A1 (0.38) SCN9ACYP46A1
SCHEMBL12989435 0.84 SCN9A (0.33) SCN9ASCN5ASMO
SCHEMBL12988988 0.84 CYP46A1 (0.38) SCN9ACYP46A1
SCHEMBL12989333 0.81 SCN9A (0.35) SCN9ACYP46A1SMO
Hydrochloric Acid SCHEMBL15420113 0.81 CYP46A1 (0.35) SCN9ACYP46A1
SCHEMBL15420331 0.81 CYP46A1 (0.35) SCN9ACYP46A1

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 648/4885CYP46A1 1863/4885CYP3A4 2222/4885

“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.