SCHEMBL23239264

SCHEMBL23239264

O[C@@H](Cc1noc(CCl)n1)c1ccc2c(c1)OCO2

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 4/20 0.49
ITGB3 P05106 6/20 0.41
ITGAV P06756 6/20 0.41
ITGA2B P08514 5/20 0.41
ITGB5 P18084 2/20 0.41
EDNRA P25101 2/20 0.41
ITGB1 P05556 1/20 0.39
ITGB6 P18564 1/20 0.39
LMNA P02545 2/20 0.38
MAPK1 P28482 2/20 0.38
AOC3 Q16853 1/20 0.38
CYP3A4 P08684 1/20 0.37
MEN1 O00255 1/20 0.37
HPGD P15428 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TSHR P16473 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL23236876 0.81 TRPA1 (0.51) TRPA1
SCHEMBL23237637 0.79 TRPA1 (0.47) TRPA1
SCHEMBL23209150 0.78 TRPA1 (0.53) TRPA1
SCHEMBL23209149 0.78 TRPA1 (0.53) TRPA1
SCHEMBL24689347 0.77 TRPA1 (0.42) TRPA1
SCHEMBL23237684 0.77 TRPA1 (0.46) TRPA1SMN1; SMN2
SCHEMBL23239259 0.77 TRPA1 (0.45) TRPA1AOC3KMT2A
SCHEMBL23237543 0.74 TRPA1 (0.45) TRPA1
SCHEMBL6500167 0.74 AOC3 (0.50) EDNRALMNAMAPK1AOC3CYP3A4
SCHEMBL24689137 0.73 MAPT (0.45) TRPA1MAPK1AOC3ALDH1A1

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-11136336-B2 Thienopyrimidones BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-10-05 US disclosed
US-20210107918-A1 Novel Thienopyrimidones BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-04-15 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 (2 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-20210107918-A1 Novel Thienopyrimidones TRPA1, TRPV1, TRPV2 TRPA1 1/4885ITGB3 2456/4885ITGAV 2658/4885
US-11136336-B2 Thienopyrimidones TRPA1, TRPV1, TRPV2 TRPA1 1/4885ITGB3 2129/4885ITGAV 2667/4885

“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.