SCHEMBL31050544

SCHEMBL31050544

CSCC[C@H](NC(C)=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 3/20 0.53
▸ CTSS P25774 3/20 0.53
▸ CTSK P43235 3/20 0.53
▸ CTSH P09668 1/20 0.53
▸ CXCL8 P10145 10/20 0.51
▸ F2 P00734 4/20 0.51
▸ MC4R P32245 2/20 0.49
▸ APLNR P35414 1/20 0.46
▸ MC5R P33032 1/20 0.45
▸ MC3R P41968 1/20 0.45
▸ MC1R Q01726 1/20 0.45

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
SCHEMBL31050545 0.94 MC4R (0.53) CTSLCTSSCTSKCTSHCXCL8
SCHEMBL30910841 0.89 CTSL (0.52) CTSLCTSSCTSKCTSHCXCL8
SCHEMBL7200318 0.83 CTSL (0.49) CTSLCTSSCTSKCTSHF2
SCHEMBL7200319 0.83 CTSL (0.49) CTSLCTSSCTSKCTSHF2
SCHEMBL31437190 0.82 CTSL (0.62) CTSLCTSSCTSKCTSHCXCL8
SCHEMBL29506917 0.81 CXCL8 (0.52) CTSLCTSSCTSKCTSHCXCL8
SCHEMBL30567437 0.80 OPRM1 (0.56) CTSLCTSSCTSKCTSHCXCL8
SCHEMBL31437180 0.79 CTSL (0.66) CTSLCTSSCTSKCTSHCXCL8
SCHEMBL31437178 0.79 CTSL (0.63) CTSLCTSSCTSKCTSHCXCL8
SCHEMBL29972919 0.78 F2 (0.55) CTSLCTSSCTSKCTSHCXCL8

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-20240269226-A1 COMBINATION THERAPY WITH SEMAX AND CANNABIDIOL HALLSTAT CAPITAL, LLC 2024-08-15 — — 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-20240269226-A1 COMBINATION THERAPY WITH SEMAX AND CANNABIDIOL CNR2, CNR1, BAD CTSL 2347/4885CTSS 3245/4885CTSK 3353/4885

“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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