SCHEMBL15635501

SCHEMBL15635501

O=C(O)c1cnc(C(F)(F)F)nc1NCCC(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOS P01100 4/20 0.40
JUN P05412 4/20 0.40
NFKB1 P19838 4/20 0.40
NFKB2 Q00653 4/20 0.40
RELA Q04206 4/20 0.40
SIRT5 Q9NXA8 3/20 0.40
KMT2A Q03164 1/20 0.40
AGTR2 P50052 1/20 0.36
SPR P35270 1/20 0.35
TLR7 Q9NYK1 1/20 0.35
ASPH Q12797 2/20 0.34
CFTR P13569 1/20 0.34
TTK P33981 3/20 0.33
KDM4E B2RXH2 1/20 0.33
RIOX2 Q8IUF8 1/20 0.33
KDM8 Q8N371 1/20 0.33
JAK2 O60674 2/20 0.33
JAK3 P52333 2/20 0.33
PDE4B Q07343 1/20 0.33
JAK1 P23458 1/20 0.32

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
SCHEMBL2902103 0.84 KDM6B (0.45) FOSJUNNFKB1NFKB2RELA
SCHEMBL17363186 0.82 JUN (0.62) FOSJUNNFKB1NFKB2RELA
SCHEMBL2902606 0.81 REN (0.46) FOSJUNNFKB1NFKB2RELA
SCHEMBL2902975 0.81 FOS (0.47) FOSJUNNFKB1NFKB2RELA
SCHEMBL15636041 0.79 MEN1 (0.43) FOSJUNNFKB1NFKB2RELA
SCHEMBL2894732 0.78 AGTR2 (0.53) KMT2AAGTR2ASPHKDM4ERIOX2
SCHEMBL17363180 0.77 CCNE2 (0.50) FOSJUNNFKB1NFKB2RELA
SCHEMBL2897485 0.76 CD38 (0.38) FOSJUNNFKB1NFKB2RELA
SCHEMBL15639612 0.75 CDK2 (0.46) FOSJUNNFKB1NFKB2RELA
SCHEMBL15634986 0.75 SORT1 (0.48) KMT2AASPHKDM4ERIOX2KDM8

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 FOS 1461/4885JUN 2338/4885NFKB1 969/4885

“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.