SCHEMBL15635933

SCHEMBL15635933

CCc1c(Cl)cnc(NCC(F)(F)F)c1C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.37
ALDH1A1 P00352 4/20 0.34
GAA P10253 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MAPT P10636 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.32
MRGPRX4 Q96LA9 1/20 0.32
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32
SORT1 Q99523 1/20 0.32
KMO O15229 1/20 0.32
PIK3CD O00329 1/20 0.31
PIK3CA P42336 1/20 0.31
PIK3CB P42338 1/20 0.31
PIK3CG P48736 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
SCHEMBL15635290 0.74 SYK (0.35) L3MBTL1ALDH1A1KDM4ESMN1; SMN2IRAK4
SCHEMBL15635184 0.70 DHODH (0.48) L3MBTL1ALDH1A1GAAKDM4EMAPT
SCHEMBL15635935 0.69 JUN (0.36) L3MBTL1MEN1KMT2AMRGPRX4SORT1
SCHEMBL15635578 0.68 KMO (0.37) L3MBTL1KDM4EKMOSYKAURKB
SCHEMBL23648345 0.67 TDP1 (0.41) ALDH1A1MEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL9589236 0.67 HCAR3 (0.42) L3MBTL1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL15350206 0.67 L3MBTL1 (0.42) L3MBTL1ALDH1A1KDM4EMAPTMAPK1
SCHEMBL15635824 0.65 ASPH (0.40) L3MBTL1KDM4ESORT1MAPK1
SCHEMBL12516029 0.65 PGK1 (0.40) ALDH1A1MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL16878396 0.65 ITGB1 (0.36) L3MBTL1ALDH1A1IRAK4

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-2903965-B1 N-PROP-2-YNYL CARBOXAMIDE DERIVATIVES AND THEIR USE AS TRPA1 ANTAGONISTS ORION CORP (FI) 2017-03-01 EP disclosed
US-9533952-B2 N-prop-2-ynyl carboxamide derivatives and their use as TRPA1 antagonists ORION CORPORATION (FI) 2017-01-03 US disclosed
US-20150376130-A1 N-PROP-2-YNYL CARBOXAMIDE DERIVATIVES AND THEIR USE AS TRPA1 ANTAGONISTS Orlon Corporation (FI) 2015-12-31 US disclosed
EP-2903965-A1 N-PROP-2-YNYL CARBOXAMIDE DERIVATIVES AND THEIR USE AS TRPA1 ANTAGONISTS Orion Corporation (FI) 2015-08-12 EP disclosed
WO-2014053694-A1 N-PROP-2-YNYL CARBOXAMIDE DERIVATIVES AND THEIR USE AS TRPA1 ANTAGONISTS ORION CORPORATION (FI) 2014-04-10 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-20150376130-A1 N-PROP-2-YNYL CARBOXAMIDE DERIVATIVES AND THEIR USE AS TRPA1 ANTAGONISTS TRPA1, TRPV1, TRPV2 L3MBTL1 2353/4885ALDH1A1 1295/4885GAA 4568/4885

“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.