SCHEMBL21854247

SCHEMBL21854247

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

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 1/20 0.46
▸ CAPN1 P07384 13/20 0.44
▸ ITGB1 P05556 2/20 0.43
▸ ITGA4 P13612 2/20 0.43
▸ GAA P10253 1/20 0.41
▸ TACR1 P25103 1/20 0.40
▸ ITGB7 P26010 1/20 0.40
▸ CTSL P07711 1/20 0.40
▸ CTSB P07858 1/20 0.40
▸ BACE1 P56817 1/20 0.40
▸ POLB P06746 1/20 0.39

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
SCHEMBL21854249 1.00 TRPA1 (0.46) TRPA1CAPN1ITGB1ITGA4GAA
SCHEMBL20028628 0.92 CAPN1 (0.52) TRPA1CAPN1ITGB1ITGA4
SCHEMBL30133690 0.92 CAPN1 (0.52) TRPA1CAPN1ITGB1ITGA4
SCHEMBL22895826 0.90 BACE1 (0.51) TRPA1CAPN1ITGB1ITGA4ITGB7
SCHEMBL22897280 0.90 TRPA1 (0.44) TRPA1CAPN1ITGB1ITGA4GAA
SCHEMBL21854203 0.88 CAPN1 (0.46) TRPA1CAPN1ITGB1ITGA4ITGB7
SCHEMBL20027561 0.88 CAPN1 (0.46) TRPA1CAPN1ITGB1ITGA4ITGB7
SCHEMBL20027514 0.87 CAPN1 (0.46) TRPA1CAPN1ITGB1ITGA4ITGB7
SCHEMBL22897249 0.87 CAPN1 (0.48) TRPA1CAPN1
SCHEMBL21854227 0.85 BACE1 (0.50) TRPA1CAPN1ITGB1ITGA4ITGB7

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-20220324814-A1 CALPAIN MODULATORS AND THERAPEUTIC USES THEREOF BLADE THERAPEUTICS INC (US) 2022-10-13 — — US disclosed
US-20200123114-A1 CALPAIN MODULATORS AND THERAPEUTIC USES THEREOF BLADE THERAPEUTICS, INC. (US) 2020-04-23 — — 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 (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-20200123114-A1 CALPAIN MODULATORS AND THERAPEUTIC USES THEREOF CAPNS1, CAPN9, CAPN1 TRPA1 2055/4885CAPN1 3/4885ITGB1 3429/4885
US-20220324814-A1 CALPAIN MODULATORS AND THERAPEUTIC USES THEREOF CAPNS1, CAPN9, CAPN1 TRPA1 2055/4885CAPN1 3/4885ITGB1 3429/4885

“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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