SCHEMBL9972189

SCHEMBL9972189

O=C(CCc1nc2ccccc2[nH]1)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.68
LMNA P02545 1/20 0.62
TSHR P16473 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
SCN3A Q9NY46 2/20 0.60
ALDH1A1 P00352 6/20 0.58
MEN1 O00255 5/20 0.55
KMT2A Q03164 5/20 0.55
MAPT P10636 2/20 0.55
KDM4E B2RXH2 1/20 0.54
CYP3A4 P08684 2/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2C19 P33261 1/20 0.52
SCN1A P35498 1/20 0.52
SCN4A P35499 1/20 0.52
SCN5A Q14524 1/20 0.52
SCN9A Q15858 1/20 0.52
SCN2A Q99250 1/20 0.52
SCN8A Q9UQD0 1/20 0.52
SCN10A Q9Y5Y9 1/20 0.52

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
SCHEMBL9974092 0.84 PKM (0.64) PKMLMNATSHRSMN1; SMN2SCN3A
SCHEMBL12522878 0.81 PKM (1.00) PKMLMNATSHRSMN1; SMN2SCN3A
SCHEMBL15113226 0.80 PKM (0.88) PKMLMNATSHRSMN1; SMN2SCN3A
SCHEMBL15116257 0.77 LMNA (0.76) PKMLMNATSHRSMN1; SMN2SCN3A
Succinylsulfathiazole SCHEMBL151873 0.77 LMNA (1.00) PKMLMNATSHRSMN1; SMN2SCN3A
SCHEMBL1101963 0.77 LMNA (0.79) PKMLMNATSHRSMN1; SMN2SCN3A
SCHEMBL1091420 0.77 LMNA (0.79) PKMLMNATSHRSMN1; SMN2SCN3A
SCHEMBL15113187 0.76 LMNA (0.74) PKMLMNATSHRSMN1; SMN2SCN3A
SCHEMBL9974091 0.76 PKM (0.64) PKMLMNATSHRSMN1; SMN2SCN3A
Succinylsulfathiazole SCHEMBL4308857 0.76 LMNA (0.98) PKMLMNATSHRSMN1; SMN2SCN3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8309543-B2 Compositions useful as inhibitors of voltage-gated sodium channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-11-13 US disclosed
US-8309543-B2 Compositions useful as inhibitors of voltage-gated sodium channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-11-13 US disclosed
US-20120238578-A1 COMPOSITIONS USEFUL AS INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-09-20 US disclosed
US-20120238578-A1 COMPOSITIONS USEFUL AS INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-09-20 US disclosed
US-8202861-B2 Drugs for various disorders VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-06-19 US disclosed
US-8202861-B2 Drugs for various disorders VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-06-19 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-20120238578-A1 COMPOSITIONS USEFUL AS INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS SCNN1G, KCNN3, KCNN2 PKM 4054/4885LMNA 1374/4885TSHR 4176/4885

“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.