SCHEMBL15638807

SCHEMBL15638807

COCCNc1cc(F)c(F)cc1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGER4 P35408 3/20 0.50
▸ HCAR3 P49019 2/20 0.46
▸ MAPK1 P28482 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ CTSV O60911 2/20 0.42
▸ CTSL P07711 2/20 0.42
▸ RXFP1 Q9HBX9 1/20 0.41
▸ ALDH1A1 P00352 4/20 0.40
▸ MAPT P10636 4/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ HPGD P15428 1/20 0.40
▸ AKR1C3 P42330 1/20 0.40
▸ AKR1C2 P52895 1/20 0.40
▸ AKR1C1 Q04828 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ CISD1 Q9NZ45 1/20 0.38
▸ ACLY P53396 1/20 0.38
▸ PYGL P06737 1/20 0.38
▸ NCF1 P14598 1/20 0.38

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
SCHEMBL17363127 0.79 CISD1 (0.56) HCAR3ALDH1A1MAPTKDM4EHPGD
SCHEMBL15636591 0.78 KDM4E (0.44) HCAR3CTSVCTSLALDH1A1MAPT
SCHEMBL11991452 0.78 PTGER4 (0.41) PTGER4HCAR3LMNARXFP1ALDH1A1
SCHEMBL11991453 0.78 PTGER4 (0.43) PTGER4HCAR3LMNARXFP1ALDH1A1
SCHEMBL15639198 0.76 KDM4E (0.41) CTSVCTSLALDH1A1MAPTKDM4E
SCHEMBL15636019 0.76 PTGER4 (0.55) PTGER4HCAR3MAPK1LMNARXFP1
SCHEMBL15635543 0.76 KDM4E (0.55) PTGER4HCAR3MAPK1LMNAALDH1A1
SCHEMBL15635917 0.76 APEX1 (0.67) PTGER4HCAR3ALDH1A1MAPTKDM4E
SCHEMBL18669314 0.76 PTGER4 (0.58) PTGER4HCAR3MAPK1LMNARXFP1
SCHEMBL15636154 0.76 RXFP1 (0.56) PTGER4HCAR3RXFP1ALDH1A1KDM4E

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 PTGER4 740/4885HCAR3 143/4885MAPK1 1794/4885

“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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