SCHEMBL30133674

SCHEMBL30133674

C#CC(=O)[C@H](Cc1cccc(Cl)c1)NC(=O)OC(C)(C)C

nearest known ligand 0.69

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 6/20 0.69
▸ CTSS P25774 14/20 0.53
▸ CTSK P43235 12/20 0.53
▸ CTSB P07858 7/20 0.53
▸ ACE P12821 1/20 0.48
▸ CYP3A4 P08684 1/20 0.46
▸ SCN9A Q15858 1/20 0.46
▸ CTSV O60911 4/20 0.44
▸ KLK5 Q9Y337 1/20 0.43

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
SCHEMBL30818080 1.00 CTSL (0.69) CTSLCTSSCTSKCTSBACE
SCHEMBL29168115 1.00 CTSL (0.69) CTSLCTSSCTSKCTSBACE
SCHEMBL30461919 0.86 CTSL (0.74) CTSLCTSSCTSKCTSBACE
SCHEMBL1519627 0.86 CTSL (0.74) CTSLCTSSCTSKCTSBACE
SCHEMBL3553561 0.86 CTSL (0.74) CTSLCTSSCTSKCTSBACE
SCHEMBL1519629 0.86 CTSL (0.74) CTSLCTSSCTSKCTSBACE
SCHEMBL29855016 0.85 CTSL (0.69) CTSLCTSSCTSKCTSBACE
SCHEMBL5403852 0.85 CTSL (0.69) CTSLCTSSCTSKCTSBACE
SCHEMBL4917443 0.85 CTSL (0.69) CTSLCTSSCTSKCTSBACE
SCHEMBL16460171 0.82 CTSL (0.66) CTSLCTSSCTSKCTSBACE

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240300936-A1 PREPARATION OF SUBSTITUTED 1,2-DIAMINOHETEROCYCLIC COMPOUND DERIVATIVES AND THEIR USE AS PHARMACEUTICAL AGENTS AVELOS THERAPEUTICS INC. (KR) 2024-09-12 — — US disclosed
EP-4352049-A1 PREPARATION OF SUBSTITUTED 1,2-DIAMINOHETEROCYCLIC COMPOUND DERIVATIVES AND THEIR USE AS PHARMACEUTICAL AGENTS Avelos Therapeutics Inc. (KR) 2024-04-17 — — EP disclosed
WO-2022260441-A1 PREPARATION OF SUBSTITUTED 1,2-DIAMINOHETEROCYCLIC COMPOUND DERIVATIVES AND THEIR USE AS PHARMACEUTICAL AGENTS AVELOS THERAPEUTICS INC. (KR) 2022-12-15 — — WO 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-20240300936-A1 PREPARATION OF SUBSTITUTED 1,2-DIAMINOHETEROCYCLIC COMPOUND DERIVATIVES AND THEIR USE AS PHARMACEUTICAL AGENTS MAST1, MAST3, MAST4 CTSL 643/4885CTSS 1147/4885CTSK 580/4885

“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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