SCHEMBL30133559

SCHEMBL30133559

Cc1noc(-c2ccccc2)c1C(=O)N[C@@H](CCc1ccccc1)C(=O)C(N)=O

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 1/20 0.47
▸ TSHR P16473 1/20 0.44
▸ GAA P10253 2/20 0.42
▸ CAPN1 P07384 4/20 0.41
▸ PSMB5 P28074 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ BACE1 P56817 1/20 0.39
▸ PTGS1 P23219 1/20 0.39
▸ NFKB1 P19838 1/20 0.39
▸ NFKB2 Q00653 1/20 0.39
▸ RELA Q04206 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ ITGB1 P05556 1/20 0.38
▸ ITGA4 P13612 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
SCHEMBL20027841 1.00 TRPA1 (0.47) TRPA1TSHRGAACAPN1PSMB5
SCHEMBL22897280 0.92 TRPA1 (0.44) TRPA1TSHRGAACAPN1PSMB5
SCHEMBL20028628 0.89 CAPN1 (0.52) TRPA1CAPN1L3MBTL1ITGB1ITGA4
SCHEMBL30133690 0.89 CAPN1 (0.52) TRPA1CAPN1L3MBTL1ITGB1ITGA4
SCHEMBL21854093 0.87 CAPN1 (0.48) TRPA1TSHRGAACAPN1KMT2A
SCHEMBL20027539 0.87 CAPN1 (0.48) TRPA1TSHRGAACAPN1KMT2A
SCHEMBL30133707 0.87 TRPA1 (0.50) TRPA1TSHRGAACAPN1KMT2A
SCHEMBL30133586 0.85 TRPA1 (0.51) TRPA1GAACAPN1KMT2ABACE1
SCHEMBL20027541 0.85 TRPA1 (0.51) TRPA1GAACAPN1KMT2ABACE1
SCHEMBL22897249 0.85 CAPN1 (0.48) TRPA1CAPN1L3MBTL1

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 1 patent. 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

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-20220324814-A1 CALPAIN MODULATORS AND THERAPEUTIC USES THEREOF CAPNS1, CAPN9, CAPN1 TRPA1 2055/4885TSHR 4380/4885GAA 616/4885

“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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