SCHEMBL1102104

SCHEMBL1102104

COC(=O)c1ccc2ccn(CC(=O)Nc3ccc(S(=O)(=O)Nc4nccs4)cc3)c2c1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PKM P14618 4/20 0.54
ALDH1A1 P00352 5/20 0.54
MEN1 O00255 5/20 0.54
KMT2A Q03164 5/20 0.54
MAPT P10636 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.53
LMNA P02545 1/20 0.53
TSHR P16473 1/20 0.53
SCN3A Q9NY46 1/20 0.52
TDP1 Q9NUW8 3/20 0.51
RECQL P46063 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
KDM4E B2RXH2 2/20 0.51
HPGD P15428 2/20 0.51
POLB P06746 1/20 0.50
APOBEC3A P31941 1/20 0.50
HSD17B10 Q99714 1/20 0.50
APOBEC3G Q9HC16 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50

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
SCHEMBL1102263 0.93 PKM (0.56) PKMALDH1A1MEN1KMT2AMAPT
SCHEMBL9972239 0.89 PKM (0.65) PKMALDH1A1MEN1KMT2AMAPT
SCHEMBL9972233 0.88 ALDH1A1 (0.62) PKMALDH1A1MEN1KMT2AMAPT
SCHEMBL9974113 0.86 PKM (0.58) PKMALDH1A1MEN1KMT2AMAPT
SCHEMBL9972237 0.86 MEN1 (0.58) PKMALDH1A1MEN1KMT2AMAPT
SCHEMBL9972246 0.86 AVPR2 (0.59) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL9974133 0.84 PKM (0.66) PKMALDH1A1MEN1KMT2AMAPT
SCHEMBL1091775 0.84 SCN3A (0.64) PKMALDH1A1MEN1KMT2AMAPT
SCHEMBL1102103 0.84 ALDH1A1 (0.55) PKMALDH1A1MEN1KMT2AMAPT
SCHEMBL9972249 0.84 MEN1 (0.55) PKMALDH1A1MEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8153655-B2 Compositions useful as inhibitors of voltage-gated sodium channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-04-10 US disclosed
US-8153655-B2 Compositions useful as inhibitors of voltage-gated sodium channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-04-10 US disclosed
US-20100087479-A1 Compositions Useful as Inhibitors of Voltage-Gated Sodium Channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-04-08 US disclosed
US-20100087479-A1 Compositions Useful as Inhibitors of Voltage-Gated Sodium Channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-04-08 US disclosed
US-7615563-B2 Compositions useful as inhibitors of voltage-gated sodium channels VERTEX PHARMACEUTICALS INCORPORATED 2009-11-10 US disclosed
US-7615563-B2 Compositions useful as inhibitors of voltage-gated sodium channels VERTEX PHARMACEUTICALS INCORPORATED 2009-11-10 US disclosed
US-20060025415-A1 Compositions useful as inhibitors of voltage-gated sodium channels VERTEX PHARMACEUTICALS INCORPORATED 2006-02-02 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 (2 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-20100087479-A1 Compositions Useful as Inhibitors of Voltage-Gated Sodium Channels SCNN1G, KCNN3, KCNN2 PKM 4054/4885ALDH1A1 2811/4885MEN1 2329/4885
US-20060025415-A1 Compositions useful as inhibitors of voltage-gated sodium channels SCNN1G, KCNN3, KCNN2 PKM 4054/4885ALDH1A1 2811/4885MEN1 2329/4885

“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.