SCHEMBL29961519

SCHEMBL29961519

COC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cn(C)nc1-c1cccc(F)c1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ DCAF1 Q9Y4B6 1/20 0.48
▸ CTSL P07711 2/20 0.45
▸ CTSV O60911 1/20 0.45
▸ CTSS P25774 1/20 0.45
▸ CTSK P43235 1/20 0.45
▸ PSMB5 P28074 3/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ TACR3 P29371 1/20 0.42
▸ CTSA P10619 2/20 0.42
▸ CAPN1 P07384 3/20 0.41
▸ ITGB1 P05556 1/20 0.41
▸ ITGA4 P13612 1/20 0.41
▸ ITGB7 P26010 1/20 0.41
▸ ERAP1 Q9NZ08 2/20 0.41

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
SCHEMBL22886636 1.00 DCAF1 (0.48) DCAF1CTSLCTSVCTSSCTSK
SCHEMBL22886629 0.91 DCAF1 (0.50) DCAF1CTSLCTSVCTSSCTSK
SCHEMBL22886559 0.90 CAPN1 (0.47) DCAF1CTSLCTSVCTSSCTSK
SCHEMBL22886415 0.90 DCAF1 (0.52) DCAF1CTSLCTSVCTSSCTSK
SCHEMBL21854327 0.90 DCAF1 (0.53) DCAF1CTSLCTSVCTSSCTSK
SCHEMBL20027495 0.90 DCAF1 (0.53) DCAF1CTSLCTSVCTSSCTSK
Hydrochloric Acid SCHEMBL30133652 0.89 DCAF1 (0.52) DCAF1CTSLCTSVCTSSCTSK
SCHEMBL22885972 0.85 CTSL (0.42) DCAF1CTSLCTSVCTSSCTSK
SCHEMBL22886627 0.83 PYGL (0.48) DCAF1CTSLCTSVCTSSCTSK
SCHEMBL20028183 0.83 CAPN1 (0.47) DCAF1CTSLCTSVCTSSCTSK

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-20220347173-A1 METHODS OF TREATING LIVER FIBROSIS USING CALPAIN INHIBITORS BLADE THERAPEUTICS INC (US) 2022-11-03 — — 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-20220347173-A1 METHODS OF TREATING LIVER FIBROSIS USING CALPAIN INHIBITORS CAPNS1, CAPN9, CAPN2 DCAF1 3032/4885CTSL 54/4885CTSV 85/4885

“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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