SCHEMBL22039739

SCHEMBL22039739

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.42
EGFR P00533 1/20 0.41
AAK1 Q2M2I8 2/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPT P10636 2/20 0.41
TSHR P16473 2/20 0.40
LMNA P02545 1/20 0.40
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 2/20 0.38
GAA P10253 1/20 0.38
PKM P14618 1/20 0.38
HPGD P15428 1/20 0.38
ALOX12 P18054 1/20 0.38
APP P05067 1/20 0.38
GABRB1 P18505 1/20 0.38
GABRB2 P47870 1/20 0.38

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
SCHEMBL22039758 1.00 TRPA1 (0.42) TRPA1EGFRAAK1ALDH1A1MAPT
SCHEMBL31149152 1.00 TRPA1 (0.42) TRPA1EGFRAAK1ALDH1A1MAPT
SCHEMBL17207477 0.90 AAK1 (0.43) AAK1ALDH1A1MAPTTSHRLMNA
SCHEMBL22040170 0.90 TRPA1 (0.47) TRPA1AAK1ALDH1A1MAPTTSHR
SCHEMBL31149150 0.90 TRPA1 (0.47) TRPA1AAK1ALDH1A1MAPTTSHR
SCHEMBL23891602 0.87 CHRNA1 (0.46) AAK1ALDH1A1MAPTTSHRLMNA
SCHEMBL20835831 0.87 PPARA (0.52) EGFRALDH1A1MAPTPPARGPPARA
SCHEMBL20835832 0.87 PPARA (0.52) EGFRALDH1A1MAPTPPARGPPARA
SCHEMBL30471005 0.84 LMNA (0.40) TRPA1EGFRAAK1MAPTTSHR
SCHEMBL24365220 0.84 LMNA (0.40) TRPA1EGFRAAK1MAPTTSHR

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-20220087996-A1 Histone acetylase p300 inhibitor and use thereof HINOVA PHARMACEUTICALS INC. (CN) 2022-03-24 US 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 4033/4885EGFR 3146/4885AAK1 1201/4885

“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.