SCHEMBL2712977

SCHEMBL2712977

CCOc1cc(C(=O)OC)cnc1Cl

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 4/20 0.49
ALDH1A1 P00352 2/20 0.49
S1PR1 P21453 1/20 0.44
GLA P06280 1/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
TSHR P16473 3/20 0.43
ATM Q13315 1/20 0.42
CREBBP Q92793 1/20 0.42
KMT2A Q03164 2/20 0.42
GAA P10253 1/20 0.42
MEN1 O00255 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL978445 0.85 MAPT (0.46) MAPK1ALDH1A1GLAATMKMT2A
SCHEMBL2714328 0.84 TSHR (0.51) MAPK1ALDH1A1GLALMNAHTT
SCHEMBL13326243 0.84 MAPK1 (0.45) MAPK1ALDH1A1LMNAATMGAA
SCHEMBL2716048 0.84 ALDH1A1 (0.54) MAPK1ALDH1A1GLALMNAHTT
SCHEMBL16319100 0.84 AR (0.44) MAPK1ALDH1A1ATM
SCHEMBL27913968 0.83 HTT (0.44) MAPK1ALDH1A1GLALMNAHTT
SCHEMBL16319378 0.80 HPGD (0.56) ALDH1A1LMNAKMT2ASMN1; SMN2
SCHEMBL2804058 0.80 EPHX2 (0.44) MAPK1ATM
SCHEMBL31285153 0.80 KDM4E (0.41) MAPK1ALDH1A1ATM
SCHEMBL978405 0.80 MAPK1 (0.41) MAPK1ALDH1A1ATM

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
CN-106478497-B Arylamine derivatives as TTX-S blockers 拉夸里亚创药株式会社 2020-05-08 CN disclosed
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 MAPK1 3779/4885ALDH1A1 1358/4885S1PR1 1739/4885

“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.