SCHEMBL15636215

SCHEMBL15636215

O=C(O)c1cc(F)ccc1NCC(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MPO P05164 1/20 0.51
▸ KCNK2 O95069 1/20 0.49
▸ KEAP1 Q14145 1/20 0.46
▸ LIPC P11150 1/20 0.46
▸ LIPG Q9Y5X9 1/20 0.46
▸ FABP3 P05413 1/20 0.43
▸ FABP4 P15090 1/20 0.43
▸ RBP4 P02753 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ APEX1 P27695 1/20 0.41
▸ CDK2 P24941 1/20 0.40
▸ METAP2 P50579 1/20 0.40
▸ KDM4C Q9H3R0 2/20 0.40
▸ GRIK1 P39086 1/20 0.39
▸ DHODH Q02127 1/20 0.39

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
SCHEMBL15635521 0.88 MPO (0.49) MPOKCNK2KEAP1LIPCLIPG
SCHEMBL15635498 0.84 MPO (0.49) MPOKCNK2KEAP1LIPCLIPG
SCHEMBL15635864 0.83 PDK2 (0.41) CYP2C19ALDH1A1MAPTKMT2A
SCHEMBL15635495 0.83 KDM4E (0.54) MPOKCNK2LIPCLIPGFABP3
SCHEMBL15635834 0.83 LIPC (0.66) MPOLIPCLIPGALDH1A1CDK2
SCHEMBL15636720 0.83 MEN1 (0.49) LIPCLIPGFABP3FABP4ALDH1A1
SCHEMBL15635133 0.82 MPO (0.47) MPOKCNK2KEAP1LIPCLIPG
SCHEMBL16168119 0.80 KEAP1 (0.49) MPOKCNK2KEAP1LIPCLIPG
SCHEMBL13073780 0.80 ALDH1A1 (0.49) MPOKCNK2KEAP1LIPCLIPG
SCHEMBL15635250 0.80 CTSV (0.41) MPOKCNK2KEAP1LIPCLIPG

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 MPO 3128/4885KCNK2 421/4885KEAP1 709/4885

“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.

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