SCHEMBL15634988

SCHEMBL15634988

CC(C)(C)CNc1cc(F)c(F)cc1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSV O60911 2/20 0.40
▸ CTSL P07711 2/20 0.40
▸ ACLY P53396 1/20 0.39
▸ EPHX2 P34913 1/20 0.39
▸ NR1H4 Q96RI1 1/20 0.39
▸ STING1 Q86WV6 8/20 0.39
▸ POLB P06746 1/20 0.38
▸ APEX1 P27695 1/20 0.38
▸ CISD1 Q9NZ45 3/20 0.37
▸ FTO Q9C0B1 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ MAPK8 P45983 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ AKR1C3 P42330 1/20 0.36
▸ AKR1C2 P52895 1/20 0.36

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
SCHEMBL15635250 0.85 CTSV (0.41) CTSVCTSLACLYSTING1FTO
SCHEMBL15636591 0.81 KDM4E (0.44) CTSVCTSLACLYSTING1CISD1
SCHEMBL12933393 0.78 KDM4E (0.55) MEN1TSHRKMT2AKDM4EALDH1A1
SCHEMBL15639656 0.77 POLB (0.45) CTSVCTSLEPHX2NR1H4STING1
SCHEMBL15635570 0.77 NPC1 (0.41) POLBAPEX1MEN1KMT2AMAPK8
SCHEMBL15636074 0.77 MEN1 (0.55) CTSVCTSLACLYSTING1CISD1
SCHEMBL17363127 0.75 CISD1 (0.56) CISD1KDM4EALDH1A1MAPTHPGD
SCHEMBL15639198 0.75 KDM4E (0.41) CTSVCTSLACLYSTING1APEX1
SCHEMBL23375011 0.74 NR1H4 (0.47) EPHX2NR1H4MEN1KMT2AKDM4E
SCHEMBL15638807 0.74 PTGER4 (0.50) CTSVCTSLACLYCISD1KDM4E

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 CTSV 2222/4885CTSL 1478/4885ACLY 2931/4885

“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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