SCHEMBL30797902

SCHEMBL30797902

CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1ccccc1)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 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CXCR4 P61073 6/20 0.58
▸ MC4R P32245 1/20 0.56
▸ MC5R P33032 1/20 0.56
▸ MC3R P41968 1/20 0.56
▸ MC1R Q01726 1/20 0.56
▸ KISS1R Q969F8 3/20 0.56
▸ CTSL P07711 3/20 0.53
▸ CTSS P25774 3/20 0.53
▸ CTSK P43235 3/20 0.53
▸ CTSH P09668 1/20 0.53
▸ KEAP1 Q14145 1/20 0.52
▸ NTSR2 O95665 1/20 0.52
▸ NTSR1 P30989 1/20 0.52
▸ SORT1 Q99523 1/20 0.52
▸ CXCL8 P10145 2/20 0.51
▸ OPRK1 P41145 1/20 0.51
▸ C5AR1 P21730 1/20 0.51
▸ IL23R Q5VWK5 1/20 0.50

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
SCHEMBL30797951 0.97 CXCR4 (0.58) CXCR4MC4RMC5RMC3RMC1R
SCHEMBL30798043 0.96 CXCR4 (0.57) CXCR4MC4RMC5RMC3RMC1R
SCHEMBL30797905 0.94 MC4R (0.58) CXCR4MC4RMC5RMC3RMC1R
SCHEMBL30173921 0.94 MC4R (0.58) CXCR4MC4RMC5RMC3RMC1R
SCHEMBL30798008 0.94 MC4R (0.58) CXCR4MC4RMC5RMC3RMC1R
SCHEMBL30797891 0.92 MC4R (0.55) CXCR4MC4RMC5RMC3RMC1R
SCHEMBL30797894 0.91 KISS1R (0.56) CXCR4MC4RMC5RMC3RMC1R
SCHEMBL29511552 0.91 CXCR4 (0.57) CXCR4KISS1RNTSR2NTSR1SORT1
SCHEMBL30797886 0.90 MC4R (0.58) CXCR4MC4RMC5RMC3RMC1R
SCHEMBL30798301 0.90 MC4R (0.58) CXCR4MC4RMC5RMC3RMC1R

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 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-11896704-B2 Compounds useful for the treatment and/or care of the skin, hair, nails and/or mucous membranes TYR, MTX1, MTX2 CXCR4 4011/4885MC4R 293/4885MC5R 75/4885

“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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