SCHEMBL23968130

SCHEMBL23968130

C[C@@H](O)C1NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCC(=O)NCCCN2C(=O)CC(SCCC(=O)N(C)[C@@H](C)C(=O)N=O)C2=O)N(C)C(=O)[C@H](Cc2ccccc2)NC1=O

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CXCR4 P61073 1/20 0.46
▸ SSTR2 P30874 13/20 0.43
▸ SSTR4 P31391 13/20 0.43
▸ SSTR5 P35346 12/20 0.43
▸ SSTR3 P32745 11/20 0.43
▸ SSTR1 P30872 8/20 0.43
▸ ITGB3 P05106 1/20 0.39
▸ ITGB1 P05556 1/20 0.39
▸ ITGAV P06756 1/20 0.39
▸ ITGA5 P08648 1/20 0.39
▸ ITGB5 P18084 1/20 0.39
▸ ST14 Q9Y5Y6 1/20 0.39
▸ CACNA1B Q00975 1/20 0.39
▸ KDM4A O75164 1/20 0.37

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
SCHEMBL24347569 0.83 CXCR4 (0.49) CXCR4SSTR2SSTR4SSTR5SSTR3
SCHEMBL24348580 0.83 CXCR4 (0.49) CXCR4SSTR2SSTR4SSTR5SSTR3
SCHEMBL24348095 0.82 CXCR4 (0.52) CXCR4SSTR2SSTR4SSTR5SSTR3
SCHEMBL24348770 0.75 SSTR2 (0.44) CXCR4SSTR2SSTR4SSTR5SSTR3
SCHEMBL22183395 0.75 SSTR2 (0.59) SSTR2SSTR4SSTR5SSTR3SSTR1
SCHEMBL22183468 0.74 SSTR2 (0.59) SSTR2SSTR4SSTR5SSTR3SSTR1
SCHEMBL17404637 0.69 SSTR4 (0.66) SSTR2SSTR4SSTR5SSTR3SSTR1
SCHEMBL18712360 0.69 SSTR4 (0.65) SSTR2SSTR4SSTR5SSTR3SSTR1
SCHEMBL19543860 0.69 SSTR4 (0.62) SSTR2SSTR4SSTR5SSTR3SSTR1
SCHEMBL16409450 0.68 ITGB3 (0.51) CXCR4ITGB3ITGB1ITGAVITGA5

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-11160871-B2 SSTR-targeted conjugates and particles and formulations thereof TARVEDA THERAPEUTICS, INC. (US) 2021-11-02 — — 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-11160871-B2 SSTR-targeted conjugates and particles and formulations thereof SSTR1, SSTR4, SSTR3 CXCR4 1283/4885SSTR2 5/4885SSTR4 2/4885

“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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