SCHEMBL30133707

SCHEMBL30133707

CC[C@H](NC(=O)c1c(C)noc1-c1ccccc1)C(=O)C(N)=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 1/20 0.50
▸ PTGS1 P23219 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ KMT2A Q03164 3/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ GAA P10253 2/20 0.40
▸ LPAR1 Q92633 1/20 0.40
▸ LPAR3 Q9UBY5 1/20 0.40
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ BACE1 P56817 1/20 0.39
▸ CAPN1 P07384 4/20 0.39
▸ TSHR P16473 2/20 0.38
▸ TP53 P04637 1/20 0.38
▸ ITGB1 P05556 1/20 0.38
▸ ITGA4 P13612 1/20 0.38
▸ PKM P14618 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
SCHEMBL20027539 0.89 CAPN1 (0.48) TRPA1PTGS1KDM4EMAPTKMT2A
SCHEMBL21854093 0.89 CAPN1 (0.48) TRPA1PTGS1KDM4EMAPTKMT2A
SCHEMBL30133690 0.89 CAPN1 (0.52) TRPA1CAPN1ITGB1ITGA4
SCHEMBL30133586 0.89 TRPA1 (0.51) TRPA1PTGS1KDM4EMAPTKMT2A
SCHEMBL20028628 0.89 CAPN1 (0.52) TRPA1CAPN1ITGB1ITGA4
SCHEMBL20027541 0.89 TRPA1 (0.51) TRPA1PTGS1KDM4EMAPTKMT2A
SCHEMBL20027509 0.88 TRPA1 (0.48) TRPA1PTGS1KDM4EMAPTKMT2A
SCHEMBL20027841 0.87 TRPA1 (0.47) TRPA1PTGS1KDM4EMAPTKMT2A
SCHEMBL30133559 0.87 TRPA1 (0.47) TRPA1PTGS1KDM4EMAPTKMT2A
SCHEMBL30133640 0.87 TRPA1 (0.54) TRPA1PTGS1KDM4EMAPTKMT2A

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 2055/4885PTGS1 1583/4885KDM4E 3495/4885

“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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