SCHEMBL9972201

SCHEMBL9972201

O=C(COc1ncnc2ccccc12)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 3/20 0.65
SCN3A Q9NY46 1/20 0.61
RAB9A P51151 1/20 0.59
LMNA P02545 1/20 0.57
TSHR P16473 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
MEN1 O00255 5/20 0.56
KMT2A Q03164 5/20 0.56
MAPT P10636 4/20 0.56
ALDH1A1 P00352 4/20 0.56
CNR1 P21554 3/20 0.56
RECQL P46063 2/20 0.56
GPR55 Q9Y2T6 2/20 0.56
HTT P42858 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
CYP3A4 P08684 1/20 0.56
PTGS1 P23219 1/20 0.56
POLB P06746 2/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
RXFP1 Q9HBX9 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
SCHEMBL12453027 0.89 PKM (0.65) PKMSCN3ALMNATSHRSMN1; SMN2
SCHEMBL9972199 0.86 PKM (0.72) PKMSCN3ALMNATSHRSMN1; SMN2
SCHEMBL9972218 0.86 PKM (0.66) PKMSCN3ALMNATSHRSMN1; SMN2
SCHEMBL9972182 0.83 PKM (0.70) PKMSCN3ALMNATSHRSMN1; SMN2
SCHEMBL15116296 0.82 PKM (0.74) PKMSCN3ARAB9ALMNATSHR
SCHEMBL15113438 0.81 PKM (0.76) PKMSCN3ALMNATSHRSMN1; SMN2
SCHEMBL9974107 0.80 PKM (0.66) PKMSCN3ALMNATSHRSMN1; SMN2
SCHEMBL9974095 0.80 PKM (0.66) PKMSCN3ALMNATSHRSMN1; SMN2
SCHEMBL15113371 0.79 PKM (0.76) PKMSCN3ALMNATSHRSMN1; SMN2
SCHEMBL15116293 0.79 PKM (1.00) 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 17/4885RAB9A 1749/4885

“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.