SCHEMBL6628032

SCHEMBL6628032

CC(C[C@H](O)C(=O)O)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 4/20 0.55
▸ LMNA P02545 3/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ TAAR1 Q96RJ0 3/20 0.47
▸ CYP2D6 P10635 1/20 0.45
▸ SRC P12931 1/20 0.45
▸ APAF1 O14727 1/20 0.44
▸ AOC3 Q16853 1/20 0.42
▸ FFAR1 O14842 1/20 0.42

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
SCHEMBL6632227 1.00 TRPA1 (0.55) TRPA1LMNAMAPK1TAAR1CYP2D6
SCHEMBL5475206 1.00 TRPA1 (0.55) TRPA1LMNAMAPK1TAAR1CYP2D6
SCHEMBL11829363 0.86 USP5 (0.44) TRPA1LMNAMAPK1CYP2D6FFAR1
SCHEMBL3267184 0.82 RIPK1 (0.48) TRPA1LMNAMAPK1TAAR1CYP2D6
SCHEMBL23894335 0.82 TRPA1 (0.57) TRPA1LMNAMAPK1TAAR1CYP2D6
SCHEMBL28315848 0.82 TRPA1 (0.57) TRPA1LMNAMAPK1TAAR1CYP2D6
SCHEMBL11823475 0.80 ALDH1A1 (0.48) TRPA1LMNAMAPK1CYP2D6
SCHEMBL11827232 0.80 ALDH1A1 (0.43) TRPA1LMNAMAPK1FFAR1
SCHEMBL27564208 0.79 LMNA (0.52) LMNAMAPK1CYP2D6SRCAOC3
SCHEMBL27564209 0.79 LMNA (0.52) LMNAMAPK1CYP2D6SRCAOC3

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-20040142999-A1 Novel compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2004-07-22 — — US disclosed
EP-1397340-A2 CHEMICAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS AS CATHEPSIN S INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2004-03-17 — — EP disclosed
WO-2002098850-A2 CHEMICAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS AS CATHEPSIN S INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2002-12-12 — — 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-20040142999-A1 Novel compounds and compositions as cathepsin inhibitors CTSS, CTSB, CTSE TRPA1 3576/4885LMNA 1707/4885MAPK1 3715/4885

“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.

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