Sugi Predict

Sugi Predict / Compounds / SCHEMBL30218939

SCHEMBL30218939

SCHEMBL30218939

CSCC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CXCR4 P61073 8/20 0.65
▸ CXCL8 P10145 6/20 0.62
▸ CTSL P07711 2/20 0.60
▸ CTSS P25774 2/20 0.60
▸ CTSK P43235 2/20 0.60
▸ CTSH P09668 1/20 0.60
▸ C5AR1 P21730 1/20 0.59
▸ MC4R P32245 1/20 0.59
▸ MC5R P33032 1/20 0.59
▸ MC3R P41968 1/20 0.59
▸ MC1R Q01726 1/20 0.59

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
SCHEMBL31694492 0.90 KEAP1 (0.70) CXCR4CXCL8
SCHEMBL31694497 0.89 CXCR4 (0.64) CXCR4CXCL8C5AR1MC4RMC5R
SCHEMBL31182954 0.89 KEAP1 (0.67) CXCR4
SCHEMBL31419719 0.88 NPY1R (0.62) CXCR4CXCL8CTSLCTSSCTSK
SCHEMBL29392562 0.88 CXCL8 (0.64) CXCR4CXCL8CTSLCTSSCTSK
SCHEMBL31194149 0.88 KISS1R (0.62) CXCR4CXCL8CTSLCTSSCTSK
SCHEMBL30293938 0.88 TACR1 (0.65) CXCR4CXCL8CTSLCTSSCTSK
SCHEMBL30258020 0.87 CXCL8 (0.56) CXCR4CXCL8CTSLCTSSCTSK
SCHEMBL29845337 0.87 CXCR4 (0.58) CXCR4CXCL8C5AR1
SCHEMBL29437877 0.87 GLP1R (0.65) CXCR4

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-11560407-B2 FOXP3-binding peptides and uses thereof FUNDACIÓN PARA LA INVESTIGACIÓN MÉDICA APLICADA (ES) 2023-01-24 — — 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-11560407-B2 FOXP3-binding peptides and uses thereof CCR3, CCR4, CXCR3 CXCR4 40/4885CXCL8 1362/4885CTSL 3036/4885

“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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