SCHEMBL9972206

SCHEMBL9972206

O=C(CCCOc1nccc2ccccc12)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 3/20 0.65
MEN1 O00255 5/20 0.63
KMT2A Q03164 5/20 0.63
LMNA P02545 1/20 0.61
TSHR P16473 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
SCN3A Q9NY46 2/20 0.59
RXFP1 Q9HBX9 1/20 0.57
ALDH1A1 P00352 5/20 0.56
MAPT P10636 3/20 0.56
CYP3A4 P08684 1/20 0.56
PTGS1 P23219 1/20 0.56
FGB P02675 1/20 0.56
SCN1A P35498 1/20 0.54
SCN4A P35499 1/20 0.54
SCN5A Q14524 1/20 0.54
SCN9A Q15858 1/20 0.54
SCN2A Q99250 1/20 0.54
SCN8A Q9UQD0 1/20 0.54
SCN10A Q9Y5Y9 1/20 0.54

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
SCHEMBL9972218 0.90 PKM (0.66) PKMMEN1KMT2ALMNATSHR
SCHEMBL15113473 0.81 MEN1 (0.77) PKMMEN1KMT2ALMNATSHR
SCHEMBL15113309 0.81 MEN1 (0.86) PKMMEN1KMT2ALMNATSHR
SCHEMBL15113315 0.81 PKM (0.81) PKMMEN1KMT2ALMNATSHR
SCHEMBL15113431 0.80 MEN1 (0.76) PKMMEN1KMT2ALMNATSHR
SCHEMBL15116289 0.80 CYP3A4 (0.75) MEN1KMT2ASMN1; SMN2SCN3ARXFP1
SCHEMBL15113438 0.80 PKM (0.76) PKMMEN1KMT2ALMNATSHR
SCHEMBL9972194 0.80 MEN1 (0.72) PKMMEN1KMT2ALMNATSHR
SCHEMBL15116270 0.79 SCN3A (0.71) PKMMEN1KMT2ALMNATSHR
SCHEMBL15113206 0.79 CYP3A4 (0.64) PKMMEN1KMT2ASMN1; 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 4054/4885MEN1 2329/4885KMT2A 3111/4885

“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.