SCHEMBL30798043

SCHEMBL30798043

CSCC[C@H](NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CXCR4 P61073 12/20 0.57
▸ CTSL P07711 3/20 0.52
▸ CTSS P25774 3/20 0.52
▸ CTSK P43235 3/20 0.52
▸ CTSH P09668 1/20 0.52
▸ MC4R P32245 1/20 0.51
▸ MC5R P33032 1/20 0.51
▸ MC3R P41968 1/20 0.51
▸ MC1R Q01726 1/20 0.51
▸ NTSR2 O95665 1/20 0.51
▸ NTSR1 P30989 1/20 0.51
▸ SORT1 Q99523 1/20 0.51
▸ KISS1R Q969F8 1/20 0.50
▸ KEAP1 Q14145 1/20 0.49
▸ NPBWR1 P48145 1/20 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
SCHEMBL30797902 0.96 CXCR4 (0.58) CXCR4CTSLCTSSCTSKCTSH
SCHEMBL30797951 0.93 CXCR4 (0.58) CXCR4CTSLCTSSCTSKCTSH
SCHEMBL30797905 0.89 MC4R (0.58) CXCR4CTSLCTSSCTSKCTSH
SCHEMBL30798008 0.89 MC4R (0.58) CXCR4CTSLCTSSCTSKCTSH
SCHEMBL30173921 0.89 MC4R (0.58) CXCR4CTSLCTSSCTSKCTSH
SCHEMBL31147129 0.89 CXCR4 (0.58) CXCR4CTSLCTSSCTSKCTSH
SCHEMBL30797891 0.88 MC4R (0.55) CXCR4CTSLCTSSCTSKCTSH
SCHEMBL29511552 0.88 CXCR4 (0.57) CXCR4NTSR2NTSR1SORT1KISS1R
SCHEMBL30797894 0.87 KISS1R (0.56) CXCR4MC4RMC5RMC3RMC1R
SCHEMBL30797771 0.87 CXCR4 (0.55) CXCR4NTSR2NTSR1SORT1KISS1R

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-11896704-B2 Compounds useful for the treatment and/or care of the skin, hair, nails and/or mucous membranes LUBRIZOL ADVANCED MATERIALS, INC. (US) 2024-02-13 — — US claimed

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-11896704-B2 Compounds useful for the treatment and/or care of the skin, hair, nails and/or mucous membranes TYR, MTX1, MTX2 CXCR4 4011/4885CTSL 3728/4885CTSS 3857/4885

“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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