SCHEMBL1102125

SCHEMBL1102125

Cc1cc(OCC(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)c2cccc(C(F)(F)F)c2n1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PKM P14618 4/20 0.61
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
TSHR P16473 2/20 0.50
SCN3A Q9NY46 1/20 0.50
HPGD P15428 1/20 0.50
HSD17B10 Q99714 1/20 0.50
LMNA P02545 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
ALDH1A1 P00352 2/20 0.49
MAPT P10636 2/20 0.49

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
SCHEMBL10201163 0.90 PKM (0.62) PKMMEN1KMT2ATSHRSCN3A
SCHEMBL1102025 0.89 PKM (0.60) PKMMEN1KMT2ATSHRSCN3A
SCHEMBL1091795 0.89 PKM (0.64) PKMMEN1KMT2ATSHRSCN3A
SCHEMBL847819 0.87 PKM (0.61) PKMMEN1KMT2ATSHRSCN3A
SCHEMBL15113357 0.83 PKM (0.74) PKMMEN1KMT2ATSHRSCN3A
SCHEMBL15113335 0.83 PKM (0.70) PKMMEN1KMT2ATSHRSCN3A
SCHEMBL9972217 0.82 PKM (0.66) PKMMEN1KMT2ATSHRSCN3A
SCHEMBL12452898 0.81 PKM (0.65) PKMMEN1KMT2ATSHRSCN3A
SCHEMBL9972178 0.81 PKM (0.67) PKMMEN1KMT2ATSHRSCN3A
SCHEMBL15113438 0.80 PKM (0.76) PKMMEN1KMT2ATSHRSCN3A

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-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

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-20100087479-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.