SCHEMBL15420134

SCHEMBL15420134

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

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 2/20 0.38
SCN9A Q15858 5/20 0.36
GCGR P47871 1/20 0.36
CACNA1H O95180 1/20 0.32
HCRTR2 O43614 3/20 0.32
RET P07949 1/20 0.31
USP30 Q70CQ3 1/20 0.31
AR P10275 1/20 0.31
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
GPR119 Q8TDV5 1/20 0.30
CCR6 P51684 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
SCHEMBL15420131 1.00 IDH1 (0.38) IDH1SCN9AGCGRCACNA1HHCRTR2
SCHEMBL15420589 1.00 IDH1 (0.38) IDH1SCN9AGCGRCACNA1HHCRTR2
SCHEMBL15420528 0.92 SCN9A (0.37) IDH1SCN9AGCGRCACNA1HHCRTR2
SCHEMBL15420527 0.92 SCN9A (0.37) IDH1SCN9AGCGRCACNA1HHCRTR2
SCHEMBL12989397 0.90 SCN9A (0.36) IDH1SCN9AGCGRCACNA1HHCRTR2
SCHEMBL12989396 0.90 SCN9A (0.36) IDH1SCN9AGCGRCACNA1HHCRTR2
SCHEMBL14692138 0.90 HCRTR2 (0.33) IDH1GCGRHCRTR2
SCHEMBL15420041 0.90 HCRTR2 (0.33) IDH1GCGRHCRTR2
SCHEMBL15420326 0.90 HCRTR2 (0.33) IDH1GCGRHCRTR2
SCHEMBL15420327 0.90 HCRTR2 (0.33) IDH1GCGRHCRTR2

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 3 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-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 IDH1 2051/4885SCN9A 648/4885GCGR 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.