SCHEMBL9972199

SCHEMBL9972199

O=C(COc1ccnc2ccccc12)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 3/20 0.72
SCN3A Q9NY46 2/20 0.62
LMNA P02545 1/20 0.58
TSHR P16473 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
MEN1 O00255 5/20 0.55
KMT2A Q03164 5/20 0.55
ALDH1A1 P00352 4/20 0.55
MAPT P10636 4/20 0.55
RECQL P46063 3/20 0.55
CNR1 P21554 3/20 0.55
TDP1 Q9NUW8 2/20 0.55
GPR55 Q9Y2T6 2/20 0.55
HTT P42858 1/20 0.55
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

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
SCHEMBL9972182 0.94 PKM (0.70) PKMSCN3ALMNATSHRSMN1; SMN2
SCHEMBL15113438 0.88 PKM (0.76) PKMSCN3ALMNATSHRSMN1; SMN2
SCHEMBL9972221 0.87 PKM (0.70) PKMSCN3ALMNATSHRSMN1; SMN2
SCHEMBL9972219 0.87 PKM (0.62) PKMSCN3ALMNATSHRSMN1; SMN2
SCHEMBL9972201 0.86 PKM (0.65) PKMSCN3ALMNATSHRSMN1; SMN2
SCHEMBL9972223 0.86 PKM (0.63) PKMSCN3ALMNATSHRSMN1; SMN2
SCHEMBL12452898 0.85 PKM (0.65) PKMSCN3ALMNATSHRSMN1; SMN2
SCHEMBL9972220 0.85 PKM (0.75) PKMSCN3ALMNATSHRSMN1; SMN2
SCHEMBL9972177 0.85 PKM (0.62) PKMSCN3ALMNATSHRSMN1; SMN2
SCHEMBL12453027 0.84 PKM (0.65) PKMSCN3ALMNATSHRSMN1; SMN2

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 4054/4885SCN3A 17/4885LMNA 1374/4885

“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.