SCHEMBL20656270

SCHEMBL20656270

CC(C)n1c(=O)[nH]c2cc(C#N)c(F)cc21

nearest known ligand 0.69

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PGR P06401 12/20 0.69
POLB P06746 2/20 0.45
TNKS O95271 1/20 0.41
CYP3A4 P08684 1/20 0.41
TNKS2 Q9H2K2 1/20 0.41
PARP2 Q9UGN5 1/20 0.41
DAO P14920 2/20 0.40
MAOB P27338 1/20 0.39
AR P10275 1/20 0.37
CCR4 P51679 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
SCHEMBL2966714 0.83 PGR (0.66) PGRPOLBDAOMAOBCCR4
SCHEMBL20079372 0.83 PGR (0.49) PGRTNKSCYP3A4TNKS2PARP2
SCHEMBL16883635 0.81 LMNA (0.49) PGRTNKSCYP3A4TNKS2PARP2
SCHEMBL31473423 0.81 LMNA (0.49) PGRTNKSCYP3A4TNKS2PARP2
SCHEMBL2973703 0.76 PGR (0.57) PGRPOLBDAOMAOBCCR4
SCHEMBL16858454 0.75 LMNA (0.49) PGRTNKSCYP3A4TNKS2PARP2
SCHEMBL20079384 0.74 PGR (0.58) PGRPOLBDAOMAOBAR
SCHEMBL20079378 0.74 POLB (0.55) PGRPOLBTNKSMAOB
SCHEMBL20079379 0.74 PGR (0.65) PGRPOLBMAOB
SCHEMBL18358719 0.72 PSMB8 (0.44) PGRTNKSCYP3A4TNKS2PARP2

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 3 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

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 4513/4885TNKS 1618/4885
US-20190016701-A1 TRPA1 MODULATORS TRPA1, TRPV1, TRPV2 PGR 3776/4885POLB 4513/4885TNKS 1618/4885
US-20200179357-A1 TRPA1 ANTAGONISTS FOR TREATMENT OF DRY EYE, OCULAR PAIN AND INFLAMMATION TRPA1, TRPV1, TRPV2 PGR 4156/4885POLB 4439/4885TNKS 2848/4885

“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.