SCHEMBL10248870

SCHEMBL10248870

CC(C)c1nc(Cc2ccc(S(C)(=O)=O)cc2)cs1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 1/20 0.43
PTPRB P23467 2/20 0.40
GLP1R P43220 1/20 0.39
PTGS2 P35354 7/20 0.37
DRD2 P14416 1/20 0.36
HTR2A P28223 1/20 0.36
HRH1 P35367 1/20 0.36
GHSR Q92847 1/20 0.36
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL10248929 0.78 SLC6A3 (0.43) SLC6A3PTPRBDRD2HTR2AHRH1
SCHEMBL16018753 0.78 SLC6A3 (0.43) SLC6A3PTPRBDRD2HTR2AHRH1
SCHEMBL10249190 0.78 SLC6A3 (0.56) SLC6A3PTPRBDRD2HTR2AHRH1
SCHEMBL10252493 0.76 LTA4H (0.48) SLC6A3NPC1ALDH1A1GAARAB9A
SCHEMBL13604293 0.76 CYP17A1 (0.44) SLC6A3DRD2HTR2AHRH1NPC1
SCHEMBL10094544 0.76 RAB9A (0.45) PTGS2ALDH1A1RAB9A
SCHEMBL10252529 0.75 LTA4H (0.47) SLC6A3PTPRBDRD2HTR2AHRH1
SCHEMBL10248949 0.75 LOXL2 (0.42) SLC6A3PTPRBDRD2HTR2AHRH1
SCHEMBL7187338 0.71 SLC6A3 (0.43) SLC6A3PTPRBDRD2HTR2AHRH1
SCHEMBL13231429 0.71 ENPP2 (0.54) PTGS2NPC1ALDH1A1GAARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8124610-B2 Sodium channel inhibitors ICAGEN INC. (US) 2012-02-28 US disclosed
US-20090023740-A1 SODIUM CHANNEL INHIBITORS ICAGEN (US) 2009-01-22 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-20090023740-A1 SODIUM CHANNEL INHIBITORS TRPV1, SCN1A, SCN2A SLC6A3 227/4885PTPRB 545/4885GLP1R 1905/4885

“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.