SCHEMBL15917675

SCHEMBL15917675

COC(=O)c1ccc(NC(=O)c2c(F)cc(C(F)(F)F)cc2C(F)(F)F)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.52
RAB9A P51151 5/20 0.52
ATM Q13315 1/20 0.52
MAPT P10636 6/20 0.47
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
MAPK1 P28482 2/20 0.47
HTT P42858 1/20 0.47
CASP3 P42574 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
TAS1R3 Q7RTX0 1/20 0.46
TAS1R1 Q7RTX1 1/20 0.46
TRPV1 Q8NER1 2/20 0.46
HDAC3 O15379 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
NOTUM Q6P988 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
LMNA P02545 1/20 0.45
XBP1 P17861 1/20 0.44

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
SCHEMBL15917437 0.83 KCNQ3 (0.43)
SCHEMBL15918449 0.82 SCN8A (0.65) NPC1RAB9AATM
SCHEMBL15917677 0.80 NPC1 (0.58) NPC1RAB9AATMMEN1KMT2A
SCHEMBL15901883 0.77 SORT1 (0.59) HDAC6
SCHEMBL4031637 0.74 RAB9A (0.65) NPC1RAB9AATMMAPTMEN1
SCHEMBL20639131 0.73 NOTUM (0.53) MAPTNOTUMLMNA
SCHEMBL20638738 0.73 AR (0.50)
SCHEMBL15902021 0.73 SCN10A (0.69)
SCHEMBL31297277 0.73 AR (0.50)
SCHEMBL20639092 0.73 KMT2A (0.49) KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2951155-B1 AMIDES AS MODULATORS OF SODIUM CHANNELS VERTEX PHARMA (US) 2019-06-19 EP disclosed
US-9421196-B2 Amides as modulators of sodium channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-08-23 US disclosed
EP-2951155-A1 AMIDES AS MODULATORS OF SODIUM CHANNELS Vertex Pharmaceuticals Inc. (US) 2015-12-09 EP disclosed
US-20150328196-A1 AMIDES AS MODULATORS OF SODIUM CHANNELS VERTEX PHARMACEUTICALS INCORPORATED 2015-11-19 US disclosed
US-9108903-B2 Amides as modulators of sodium channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-08-18 US disclosed
WO-2014120820-A9 AMIDES AS MODULATORS OF SODIUM CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-07-02 WO disclosed
US-20140221435-A1 AMIDES AS MODULATORS OF SODIUM CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-08-07 US disclosed
WO-2014120820-A1 AMIDES AS MODULATORS OF SODIUM CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-08-07 WO 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-20150328196-A1 AMIDES AS MODULATORS OF SODIUM CHANNELS SCN1A, SCN5A, TRPV1 NPC1 615/4885RAB9A 1861/4885ATM 4640/4885
US-20140221435-A1 AMIDES AS MODULATORS OF SODIUM CHANNELS SCN1A, SCN5A, TRPV1 NPC1 615/4885RAB9A 1861/4885ATM 4640/4885

“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.