SCHEMBL30697603

SCHEMBL30697603

COC(=O)[C@H](NC(=O)OC(C)(C)C)c1ccc(O)cc1F

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.38
CTSS P25774 4/20 0.38
CTSK P43235 4/20 0.38
AAK1 Q2M2I8 1/20 0.37
KLK5 Q9Y337 1/20 0.37
S1PR3 Q99500 1/20 0.37
MIF P14174 1/20 0.36
MAP1LC3B Q9GZQ8 1/20 0.36
MAP1LC3A Q9H492 1/20 0.36
NQO2 P16083 1/20 0.36
PTPN1 P18031 1/20 0.35
NR3C1 P04150 1/20 0.35
SYK P43405 1/20 0.35

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
SCHEMBL2898663 1.00 TRPA1 (0.38) TRPA1CTSSCTSKAAK1KLK5
SCHEMBL2891444 1.00 TRPA1 (0.38) TRPA1CTSSCTSKAAK1KLK5
SCHEMBL15670482 0.88 KDM4D (0.41) TRPA1CTSSCTSKAAK1KLK5
SCHEMBL2898640 0.88 CTSS (0.41) TRPA1CTSSCTSKAAK1S1PR3
SCHEMBL2897029 0.87 CTSS (0.39) CTSSCTSKAAK1KLK5MIF
SCHEMBL27189474 0.86 TRPA1 (0.38) TRPA1CTSSCTSKAAK1KLK5
SCHEMBL2893730 0.84 TRPA1 (0.43) TRPA1CTSSCTSKAAK1KLK5
SCHEMBL15670451 0.83 CTSS (0.45) CTSSCTSKKLK5S1PR3PTPN1
SCHEMBL15269846 0.83 CTSS (0.45) CTSSCTSKKLK5S1PR3PTPN1
SCHEMBL3646988 0.79 SMN1; SMN2 (0.41)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250367158-A1 MODULATORS OF G PROTEIN-COUPLED RECEPTOR 88 ACADIA PHARM INC (US) 2025-12-04 US disclosed
US-20250367143-A1 MODULATORS OF G PROTEIN-COUPLED RECEPTOR 88 ACADIA PHARM INC (US) 2025-12-04 US disclosed
EP-4543848-A1 MODULATORS OF G PROTEIN-COUPLED RECEPTOR 88 ACADIA Pharmaceuticals Inc. (US) 2025-04-30 EP disclosed
EP-4543857-A1 MODULATORS OF G PROTEIN-COUPLED RECEPTOR 88 ACADIA Pharmaceuticals Inc. (US) 2025-04-30 EP disclosed
WO-2023250059-A1 MODULATORS OF G PROTEIN-COUPLED RECEPTOR 88 ACADIA PHARMACEUTICALS INC. (US) 2023-12-28 WO disclosed
WO-2023250060-A1 MODULATORS OF G PROTEIN-COUPLED RECEPTOR 88 ACADIA PHARMACEUTICALS INC. (US) 2023-12-28 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 (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-20250367143-A1 MODULATORS OF G PROTEIN-COUPLED RECEPTOR 88 GPR88, GPR84, GPR68 TRPA1 1126/4885CTSS 1964/4885CTSK 2730/4885
US-20250367158-A1 MODULATORS OF G PROTEIN-COUPLED RECEPTOR 88 GPR88, GPR68, HTR2A TRPA1 1241/4885CTSS 2781/4885CTSK 3509/4885

“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.