SCHEMBL20079372

SCHEMBL20079372

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

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PGR P06401 10/20 0.49
ALDH1A1 P00352 4/20 0.48
MAPT P10636 1/20 0.48
THRB P10828 1/20 0.48
HPGD P15428 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.36
XDH P47989 1/20 0.34
TRPV4 Q9HBA0 2/20 0.33
TNKS O95271 1/20 0.33
CYP3A4 P08684 1/20 0.33
TNKS2 Q9H2K2 1/20 0.33
PARP2 Q9UGN5 1/20 0.33
SCN10A Q9Y5Y9 1/20 0.32

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
SCHEMBL18358719 0.84 PSMB8 (0.44) PGRALDH1A1MAPTTHRBHPGD
SCHEMBL20656270 0.83 PGR (0.69) PGRTNKSCYP3A4TNKS2PARP2
SCHEMBL20079376 0.74 PGR (0.43) PGRALDH1A1MAPTTHRBHPGD
SCHEMBL20656264 0.74 MAPT (0.61) PGRALDH1A1MAPTTHRBHPGD
SCHEMBL20079374 0.74 ALDH1A1 (0.55) PGRALDH1A1MAPTTHRBHPGD
SCHEMBL20656265 0.70 ALDH1A1 (0.43) PGRALDH1A1MAPTTHRBHPGD
SCHEMBL31473423 0.69 LMNA (0.49) PGRALDH1A1MAPTHPGDL3MBTL1
SCHEMBL16883635 0.69 LMNA (0.49) PGRALDH1A1MAPTHPGDL3MBTL1
SCHEMBL20079416 0.69 ALDH1A1 (0.42) PGRALDH1A1MAPTTHRBHPGD
SCHEMBL20079375 0.68 ALDH1A1 (0.51) PGRALDH1A1MAPTTHRBHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10428049-B2 TRPA1 modulators ALGOMEDIX, INC. (US) 2019-10-01 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 (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-10428049-B2 TRPA1 modulators TRPA1, TRPV1, TRPV2 PGR 3776/4885ALDH1A1 1436/4885MAPT 996/4885

“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.