SCHEMBL21917396

SCHEMBL21917396

C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2cc3ccccc3[nH]2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)C(Cc2ccccc2)C(C)(C)C)CSSC[C@@H](C(=O)N[C@H](CO)[C@@H](C)O)NC1=O

nearest known ligand 0.70

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ SSTR2 P30874 17/20 0.70
▸ SSTR5 P35346 14/20 0.70
▸ SSTR4 P31391 12/20 0.70
▸ SSTR3 P32745 9/20 0.69
▸ SSTR1 P30872 3/20 0.69

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
SCHEMBL21917397 0.86 SSTR2 (0.64) SSTR2SSTR5SSTR4SSTR3SSTR1
SCHEMBL13814081 0.83 SSTR2 (0.86) SSTR2SSTR5SSTR4SSTR3SSTR1
SCHEMBL24829654 0.82 SSTR5 (0.95) SSTR2SSTR5SSTR4SSTR3SSTR1
SCHEMBL29418094 0.82 SSTR5 (0.95) SSTR2SSTR5SSTR4SSTR3SSTR1
SCHEMBL29406120 0.82 SSTR5 (0.95) SSTR2SSTR5SSTR4SSTR3SSTR1
SCHEMBL30338443 0.81 SSTR2 (0.86) SSTR2SSTR5SSTR4SSTR3SSTR1
SCHEMBL20725191 0.81 SSTR2 (0.58) SSTR2SSTR5SSTR4SSTR3SSTR1
SCHEMBL21096703 0.80 SSTR2 (0.57) SSTR2SSTR5SSTR4SSTR3SSTR1
Octreotide SCHEMBL21840389 0.79 SSTR2 (1.00) SSTR2SSTR5SSTR4SSTR3SSTR1
Octreotide SCHEMBL15856937 0.79 SSTR2 (1.00) SSTR2SSTR5SSTR4SSTR3SSTR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11191778-B2 Multifunctional linker technology containing an N4 group THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2021-12-07 — — US disclosed
US-20200085862-A1 MULTIFUNCTIONAL LINKER TECHNOLOGY CONTAINING AN N4 GROUP NATIONAL INSTITUTES OF HEALTH-DIRECTOR DEITR 2020-03-19 — — 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 (2 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-11191778-B2 Multifunctional linker technology containing an N4 group NCL, CCNB1, CCNE1 SSTR2 564/4885SSTR5 531/4885SSTR4 227/4885
US-20200085862-A1 MULTIFUNCTIONAL LINKER TECHNOLOGY CONTAINING AN N4 GROUP NCL, CCNB1, CCNE1 SSTR2 564/4885SSTR5 531/4885SSTR4 227/4885

“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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