SCHEMBL20079368

SCHEMBL20079368

CC(C)n1c(=S)[nH]c2ccc(F)c(F)c21

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
HPGD P15428 2/20 0.47
MAPT P10636 2/20 0.46
THRB P10828 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.44
DAO P14920 1/20 0.42
PGR P06401 6/20 0.39
TDP1 Q9NUW8 2/20 0.37
KDM4E B2RXH2 1/20 0.36
ALOX15 P16050 1/20 0.36
ALOX12 P18054 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PSMB8 P28062 2/20 0.36
XDH P47989 1/20 0.35
PDE7A Q13946 1/20 0.35
POLB P06746 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
SCHEMBL20079377 0.85 ALDH1A1 (0.46) ALDH1A1HPGDMAPTTHRBL3MBTL1
SCHEMBL18358722 0.81 PSMB8 (0.50) ALDH1A1HPGDMAPTTHRBDAO
SCHEMBL20079416 0.80 ALDH1A1 (0.42) ALDH1A1HPGDMAPTTHRBL3MBTL1
SCHEMBL18358721 0.69 PSMB8 (0.49) HPGDMAPTTHRBDAOPGR
SCHEMBL20656265 0.69 ALDH1A1 (0.43) ALDH1A1HPGDMAPTTHRBL3MBTL1
SCHEMBL18358717 0.66 PSMB8 (0.45) ALDH1A1HPGDDAOPGRKDM4E
SCHEMBL20079386 0.66 PGR (0.54) DAOPGRPOLB
SCHEMBL18358724 0.65 PSMB8 (0.44) ALDH1A1HPGDMAPTL3MBTL1DAO
SCHEMBL13599975 0.65 ALDH1A1 (1.00) ALDH1A1HPGDMAPTTHRBL3MBTL1
SCHEMBL30587368 0.63 DAO (0.64) DAOPGRKDM4E

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 ALDH1A1 1436/4885HPGD 1797/4885MAPT 996/4885
US-20190016701-A1 TRPA1 MODULATORS TRPA1, TRPV1, TRPV2 ALDH1A1 1436/4885HPGD 1797/4885MAPT 996/4885
US-20200179357-A1 TRPA1 ANTAGONISTS FOR TREATMENT OF DRY EYE, OCULAR PAIN AND INFLAMMATION TRPA1, TRPV1, TRPV2 ALDH1A1 2926/4885HPGD 1793/4885MAPT 715/4885

“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.