SCHEMBL12453045

SCHEMBL12453045

O=C(CCN1C(=O)c2ccccc2C1=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.70
KMT2A Q03164 8/20 0.70
ALDH1A1 P00352 6/20 0.70
MAPT P10636 5/20 0.70
POLB P06746 5/20 0.70
MCL1 Q07820 4/20 0.70
CYP3A4 P08684 2/20 0.70
CYP1A2 P05177 1/20 0.70
CYP2D6 P10635 1/20 0.70
CYP2C9 P11712 1/20 0.70
CYP2C19 P33261 1/20 0.70
PKM P14618 1/20 0.67
HPGD P15428 3/20 0.66
KDM4E B2RXH2 2/20 0.66
SMN1; SMN2 Q16637 3/20 0.66
LMNA P02545 2/20 0.66
USP2 O75604 2/20 0.66
HTT P42858 2/20 0.66
TSHR P16473 2/20 0.66
L3MBTL1 Q9Y468 1/20 0.66

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
SCHEMBL13212152 0.82 MEN1 (1.00) MEN1KMT2AALDH1A1MAPTPOLB
SCHEMBL12522878 0.81 PKM (1.00) MEN1KMT2AALDH1A1MAPTCYP3A4
SCHEMBL1102121 0.80 PKM (0.64) MEN1KMT2AALDH1A1MAPTPOLB
Succinylsulfathiazole SCHEMBL151873 0.80 LMNA (1.00) MEN1KMT2AALDH1A1CYP3A4PKM
SCHEMBL1091420 0.80 LMNA (0.79) MEN1KMT2AALDH1A1PKMSMN1; SMN2
SCHEMBL1101963 0.80 LMNA (0.79) MEN1KMT2AALDH1A1CYP2C19PKM
SCHEMBL15077976 0.80 MAPK1 (0.76) KMT2AALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL12726006 0.79 LMNA (0.81) MEN1KMT2AALDH1A1PKMKDM4E
Succinylsulfathiazole SCHEMBL4308857 0.79 LMNA (0.98) MEN1KMT2AALDH1A1CYP3A4PKM
SCHEMBL15113226 0.79 PKM (0.88) MEN1KMT2AALDH1A1MAPTPOLB

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 4 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

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 MEN1 2329/4885KMT2A 3111/4885ALDH1A1 2811/4885

“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.