SCHEMBL13813809

SCHEMBL13813809

N#Cc1cc(SNc2ncc(Cl)s2)ccc1C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 8/20 0.37
PRSS12 P56730 3/20 0.37
ALOX15 P16050 1/20 0.36
FFAR2 O15552 2/20 0.34
ALDH1A1 P00352 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL13813864 0.88 HPGD (0.36) SCN9AALOX15FFAR2ALDH1A1NPSR1
SCHEMBL3159128 0.65 SCN9A (0.59) SCN9A
SCHEMBL10401308 0.65 SMN1; SMN2 (0.57) ALDH1A1
SCHEMBL21578016 0.61 KDM4E (0.60) ALOX15FFAR2ALDH1A1
SCHEMBL5027028 0.61 KEAP1 (0.55) ALDH1A1NPSR1TDP1
SCHEMBL30646082 0.60 CA9 (0.55) ALDH1A1TDP1
SCHEMBL19695306 0.60 ALDH1A1 (0.49) ALDH1A1
SCHEMBL4849617 0.60 XDH (0.50)
SCHEMBL16086080 0.60 ALOX15 (0.54) ALOX15FFAR2
SCHEMBL31030191 0.60 ALDH1A1 (0.51) ALDH1A1NPSR1TDP1

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
US-20130072471-A1 Inhibitors of Ion Channels MARRON BRIAN EDWARD (US) 2013-03-21 US disclosed
US-8357711-B2 Heterocyclic sulfonamides as inhibitors of ion channels PFIZER LIMITED (GB) 2013-01-22 US disclosed
US-20090143358-A1 INHIBITORS OF ION CHANNELS ICAGEN, INC. (US) 2009-06-04 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 (2 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-20130072471-A1 Inhibitors of Ion Channels TRPV1, TRPV5, TRPA1 SCN9A 51/4885PRSS12 470/4885ALOX15 1107/4885
US-20090143358-A1 INHIBITORS OF ION CHANNELS TRPV1, TRPV5, TRPA1 SCN9A 51/4885PRSS12 470/4885ALOX15 1107/4885

“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.