SCHEMBL15917677

SCHEMBL15917677

COC(=O)c1ccc(NC(=O)c2ccc(C(F)(F)F)cc2F)cc1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.58
RAB9A P51151 1/20 0.58
ATM Q13315 1/20 0.58
GPR27 Q9NS67 1/20 0.57
TRPV4 Q9HBA0 1/20 0.53
ALDH1A1 P00352 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
TRPV1 Q8NER1 3/20 0.51
CFTR P13569 1/20 0.50
PTGDR2 Q9Y5Y4 1/20 0.49
TLR8 Q9NR97 1/20 0.49
KDM4E B2RXH2 1/20 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
SCHEMBL17498479 0.85 TMPRSS4 (0.61) NPC1RAB9AATMMEN1KMT2A
SCHEMBL14157120 0.82 NPC1 (0.61) NPC1RAB9AATMALDH1A1L3MBTL1
SCHEMBL678096 0.81 PTGS1 (0.64) GPR27TRPV4MEN1KMT2ATRPV1
SCHEMBL4823169 0.81 SMN1; SMN2 (0.62) NPC1RAB9AGPR27TRPV4ALDH1A1
SCHEMBL12334628 0.81 GPR27 (0.58) NPC1RAB9AGPR27TRPV4ALDH1A1
SCHEMBL694388 0.80 CFTR (0.69) ALDH1A1L3MBTL1CFTRKDM4E
SCHEMBL12334376 0.80 RORC (0.65) NPC1RAB9AGPR27TRPV4ALDH1A1
SCHEMBL15917675 0.80 NPC1 (0.52) NPC1RAB9AATMALDH1A1MEN1
SCHEMBL15918036 0.80 STAT3 (0.46) NPC1RAB9AATMGPR27TRPV4
SCHEMBL22853165 0.79 NPC1 (0.52) NPC1RAB9AATMMEN1KMT2A

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
WO-2014120820-A1 AMIDES AS MODULATORS OF SODIUM CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-08-07 WO disclosed
US-20140221435-A1 AMIDES AS MODULATORS OF SODIUM CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-08-07 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-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.