SCHEMBL2715746

SCHEMBL2715746

C[C@@H](N[S+]([O-])C(C)(C)C)c1ccc(NCC(F)(F)F)nc1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.34
MAPK1 P28482 1/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
AAK1 Q2M2I8 3/20 0.32
HDAC4 P56524 1/20 0.31

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
SCHEMBL2715848 1.00 PDE10A (0.34) PDE10AMAPK1MEN1NPC1ALDH1A1
SCHEMBL2715850 1.00 PDE10A (0.34) PDE10AMAPK1MEN1NPC1ALDH1A1
SCHEMBL28394898 1.00 PDE10A (0.34) PDE10AMAPK1MEN1NPC1ALDH1A1
SCHEMBL2717684 0.80 L3MBTL1 (0.40) MAPK1MAPT
SCHEMBL28013084 0.80 L3MBTL1 (0.40) MAPK1MAPT
SCHEMBL2717681 0.80 L3MBTL1 (0.40) MAPK1MAPT
SCHEMBL2714397 0.80 L3MBTL1 (0.40) MAPK1MAPT
SCHEMBL346582 0.79 GPR139 (0.40) MAPK1
SCHEMBL998112 0.79 GPR139 (0.40) MAPK1
SCHEMBL998111 0.79 GPR139 (0.40) MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2630122-B1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC (JP) 2016-11-30 EP disclosed
US-9302991-B2 Arylamide derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2016-04-05 US disclosed
US-20140336377-A1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2014-11-13 US disclosed
EP-2630122-A1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS RaQualia Pharma Inc (JP) 2013-08-28 EP disclosed
WO-2012053186-A1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-04-26 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 (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-20140336377-A1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS SCN2B, SCN1B, SCN2A PDE10A 980/4885MAPK1 3779/4885MEN1 4237/4885

“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.