SCHEMBL24975502

SCHEMBL24975502

C[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCNC(=N)N)NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@H](Cc2ccccc2)NC1=O

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PIN1 Q13526 2/20 0.49
▸ ITGB3 P05106 7/20 0.48
▸ ITGAV P06756 4/20 0.48
▸ ITGB1 P05556 1/20 0.48
▸ ITGA5 P08648 1/20 0.48
▸ MC4R P32245 9/20 0.47
▸ MC5R P33032 9/20 0.47
▸ MC3R P41968 9/20 0.47
▸ MC1R Q01726 9/20 0.47
▸ CXCR4 P61073 1/20 0.46
▸ ITGB5 P18084 1/20 0.45
▸ ITGA2B P08514 3/20 0.45
▸ CTSG P08311 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
SCHEMBL19605464 0.93 MC4R (0.55) ITGB3ITGAVITGB1ITGA5MC4R
SCHEMBL25474210 0.93 MC4R (0.55) ITGB3ITGAVITGB1ITGA5MC4R
SCHEMBL14883291 0.93 MC4R (0.49) PIN1ITGB3ITGAVITGB1ITGA5
SCHEMBL10000329 0.93 CACNA1B (0.49) PIN1ITGB3ITGAVITGB1ITGA5
SCHEMBL15853554 0.92 MC4R (0.46) PIN1ITGB3ITGAVITGB1ITGA5
SCHEMBL29666716 0.92 PIN1 (0.46) PIN1ITGB3ITGAVITGB1ITGA5
SCHEMBL22872754 0.90 ITGB3 (0.49) PIN1ITGB3ITGAVITGB1ITGA5
SCHEMBL12146076 0.90 ITGB3 (0.50) PIN1ITGB3ITGAVITGB1ITGA5
SCHEMBL29569086 0.90 ITGB3 (0.49) ITGB3ITGAVITGB1ITGA5MC4R
SCHEMBL27423920 0.90 MC4R (0.48) ITGB3ITGAVITGB1ITGA5MC4R

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-20230027739-A1 ANTIGEN-BINDING AND ANTIGEN DEGRADATION CONSTRUCTS ENTRADA THERAPEUTICS, INC. 2023-01-26 — — 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-20230027739-A1 ANTIGEN-BINDING AND ANTIGEN DEGRADATION CONSTRUCTS PRCP, TAP1, DNPEP PIN1 1166/4885ITGB3 4650/4885ITGAV 4069/4885

“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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