SCHEMBL22897280

SCHEMBL22897280

Cc1cc(C)cc(CC[C@H](NC(=O)c2c(C)noc2-c2ccccc2)C(=O)C(N)=O)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 1/20 0.44
▸ GAA P10253 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ BACE1 P56817 1/20 0.39
▸ PSMB5 P28074 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ TP53 P04637 1/20 0.38
▸ ITGB1 P05556 1/20 0.38
▸ ITGA4 P13612 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ MMP2 P08253 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ NFKB1 P19838 1/20 0.37
▸ NFKB2 Q00653 1/20 0.37
▸ RELA Q04206 1/20 0.37
▸ CAPN1 P07384 4/20 0.36
▸ ANPEP P15144 1/20 0.36

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
SCHEMBL20027841 0.92 TRPA1 (0.47) TRPA1GAATSHRBACE1PSMB5
SCHEMBL30133559 0.92 TRPA1 (0.47) TRPA1GAATSHRBACE1PSMB5
SCHEMBL21854247 0.90 TRPA1 (0.46) TRPA1GAABACE1ITGB1ITGA4
SCHEMBL21854249 0.90 TRPA1 (0.46) TRPA1GAABACE1ITGB1ITGA4
SCHEMBL20027539 0.84 CAPN1 (0.48) TRPA1GAATSHRBACE1KMT2A
SCHEMBL21854093 0.84 CAPN1 (0.48) TRPA1GAATSHRBACE1KMT2A
SCHEMBL30133690 0.83 CAPN1 (0.52) TRPA1ITGB1ITGA4CAPN1
SCHEMBL20028628 0.83 CAPN1 (0.52) TRPA1ITGB1ITGA4CAPN1
SCHEMBL30133707 0.83 TRPA1 (0.50) TRPA1GAATSHRBACE1KMT2A
SCHEMBL30133586 0.81 TRPA1 (0.51) TRPA1GAABACE1KMT2AMEN1

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-11339130-B1 Calpain modulators and therapeutic uses thereof BLADE THERAPEUTICS, INC. (US) 2022-05-24 — — US disclosed
US-10934261-B2 Calpain modulators and therapeutic uses thereof BLADE THERAPEUTICS, INC. (US) 2021-03-02 — — US disclosed
US-10894776-B2 — — 2021-01-19 — — 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 (3 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-10934261-B2 Calpain modulators and therapeutic uses thereof CAPNS1, CAPN9, CAPN1 TRPA1 2055/4885GAA 616/4885TSHR 4380/4885
US-10894776-B2 — CAPNS1, CAPN9, CAPN2 TRPA1 1746/4885GAA 751/4885TSHR 4691/4885
US-11339130-B1 Calpain modulators and therapeutic uses thereof CAPNS1, CAPN9, CAPN1 TRPA1 2055/4885GAA 616/4885TSHR 4380/4885

“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.

Send feedback