SCHEMBL30133606

SCHEMBL30133606

NC(=O)C(=O)[C@H](Cc1ccccc1)NC(=O)c1ccsc1-c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CAPN1 P07384 19/20 0.60
▸ CTSB P07858 3/20 0.51
▸ CTSL P07711 2/20 0.51
▸ CTSS P25774 3/20 0.50
▸ HPGDS O60760 1/20 0.49
▸ CTSK P43235 2/20 0.48

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
SCHEMBL20028579 1.00 CAPN1 (0.60) CAPN1CTSBCTSLCTSSHPGDS
SCHEMBL22896524 0.87 CAPN1 (0.59) CAPN1CTSSHPGDS
SCHEMBL22896257 0.82 CAPN1 (0.57) CAPN1CTSBCTSLCTSS
SCHEMBL20028583 0.81 CAPN1 (0.53) CAPN1CTSBCTSLCTSSHPGDS
SCHEMBL20028081 0.81 CAPN1 (0.53) CAPN1CTSBCTSLCTSSCTSK
SCHEMBL30133658 0.81 CAPN1 (0.53) CAPN1CTSBCTSLCTSSHPGDS
SCHEMBL30133587 0.81 CAPN1 (0.53) CAPN1CTSBCTSLCTSSCTSK
SCHEMBL6942085 0.81 CAPN1 (0.73) CAPN1CTSBCTSLCTSSCTSK
SCHEMBL7322673 0.81 CAPN1 (0.73) CAPN1CTSBCTSLCTSSCTSK
SCHEMBL22897141 0.80 CAPN1 (0.54) CAPN1CTSS

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 CAPN1 3/4885CTSB 105/4885CTSL 234/4885

“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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