SCHEMBL20079384

SCHEMBL20079384

CC(C)n1c(=O)[nH]c2ccc(C#N)c(F)c21

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PGR P06401 13/20 0.58
POLB P06746 1/20 0.42
MAOB P27338 1/20 0.39
DAO P14920 1/20 0.38
AR P10275 1/20 0.37
ALK Q9UM73 2/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL16883679 0.84 PGR (0.46) PGRDAOKDM4EALDH1A1
SCHEMBL20079376 0.83 PGR (0.43) PGRARKDM4EALDH1A1
SCHEMBL20079380 0.80 DAO (0.58) PGRPOLBMAOBDAOALDH1A1
SCHEMBL20079382 0.80 PGR (0.55) PGRPOLBMAOBDAOALK
SCHEMBL20079383 0.79 POLB (0.51) PGRPOLBMAOBDAOALDH1A1
SCHEMBL18358723 0.75 PSMB8 (0.44) PGRARALDH1A1
SCHEMBL25433823 0.74 PGR (0.43) PGRPOLBMAOB
SCHEMBL20656270 0.74 PGR (0.69) PGRPOLBMAOBDAOAR
SCHEMBL20079386 0.73 PGR (0.54) PGRPOLBMAOBDAO
SCHEMBL25352403 0.71 PGR (0.41) PGRPOLBMAOBDAOKDM4E

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200179357-A1 TRPA1 ANTAGONISTS FOR TREATMENT OF DRY EYE, OCULAR PAIN AND INFLAMMATION ALGOMEDIX INC (US) 2020-06-11 US disclosed
US-10428049-B2 TRPA1 modulators ALGOMEDIX, INC. (US) 2019-10-01 US disclosed
US-20190016701-A1 TRPA1 MODULATORS ALGOMEDIX, INC. (US) 2019-01-17 US disclosed
US-9951046-B2 TRPA1 modulators ALGOMEDIX, INC. (US) 2018-04-24 US 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 (3 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-10428049-B2 TRPA1 modulators TRPA1, TRPV1, TRPV2 PGR 3776/4885POLB 4513/4885MAOB 2508/4885
US-20190016701-A1 TRPA1 MODULATORS TRPA1, TRPV1, TRPV2 PGR 3776/4885POLB 4513/4885MAOB 2508/4885
US-20200179357-A1 TRPA1 ANTAGONISTS FOR TREATMENT OF DRY EYE, OCULAR PAIN AND INFLAMMATION TRPA1, TRPV1, TRPV2 PGR 4156/4885POLB 4439/4885MAOB 2755/4885

“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.