SCHEMBL22040170

SCHEMBL22040170

C[C@@H](CCC(=O)c1ccc(F)c(F)c1)NC(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.47
CHRNA1 P02708 1/20 0.44
CHRNG P07510 1/20 0.44
CHRNB1 P11230 1/20 0.44
CHRNB2 P17787 1/20 0.44
SLC6A2 P23975 1/20 0.44
CHRNB4 P30926 1/20 0.44
CHRNA3 P32297 1/20 0.44
CHRNA4 P43681 1/20 0.44
SLC6A3 Q01959 1/20 0.44
CHRND Q07001 1/20 0.44
DPP4 P27487 1/20 0.43
AAK1 Q2M2I8 3/20 0.43
GABRB1 P18505 1/20 0.39
GABRB2 P47870 1/20 0.39
ALDH1A1 P00352 2/20 0.38
MAPT P10636 1/20 0.38
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38
TAS1R3 Q7RTX0 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
SCHEMBL31149150 1.00 TRPA1 (0.47) TRPA1CHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL22039739 0.90 TRPA1 (0.42) TRPA1AAK1GABRB1GABRB2ALDH1A1
SCHEMBL22039758 0.90 TRPA1 (0.42) TRPA1AAK1GABRB1GABRB2ALDH1A1
SCHEMBL31149152 0.90 TRPA1 (0.42) TRPA1AAK1GABRB1GABRB2ALDH1A1
SCHEMBL22040808 0.88 TRPA1 (0.43) TRPA1AAK1GABRB1GABRB2CTSS
SCHEMBL23878298 0.86 ALDH1A1 (0.48) TRPA1DPP4AAK1ALDH1A1MAPT
SCHEMBL4092905 0.86 PPARA (0.49) TRPA1ALDH1A1MAPTCTSSCTSK
SCHEMBL4514578 0.86 PPARA (0.49) TRPA1ALDH1A1MAPTCTSSCTSK
SCHEMBL4092912 0.86 PPARA (0.49) TRPA1ALDH1A1MAPTCTSSCTSK
SCHEMBL2575496 0.85 ALDH1A1 (0.45) TRPA1CHRNA1CHRNGCHRNB1CHRNB2

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-20220087996-A1 Histone acetylase p300 inhibitor and use thereof HINOVA PHARMACEUTICALS INC. (CN) 2022-03-24 US disclosed
EP-3889138-A1 HISTONE ACETYLASE P300 INHIBITOR AND USE THEREOF Hinova Pharmaceuticals Inc. (CN) 2021-10-06 EP disclosed
WO-2020108500-A1 HISTONE ACETYLASE P300 INHIBITOR AND USE THEREOF 成都海创药业有限公司 2020-06-04 WO 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-20220087996-A1 Histone acetylase p300 inhibitor and use thereof EP300, HDAC1, HDAC11 TRPA1 4033/4885CHRNA1 1839/4885CHRNG 3717/4885

“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.