SCHEMBL18712329

SCHEMBL18712329

CC(C)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)NC1=O

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ SSTR2 P30874 17/20 0.61
▸ SSTR5 P35346 15/20 0.61
▸ SSTR3 P32745 6/20 0.59
▸ SSTR1 P30872 4/20 0.59
▸ SSTR4 P31391 10/20 0.57
▸ KDM4A O75164 1/20 0.51

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
SCHEMBL24348117 0.96 SSTR2 (0.66) SSTR2SSTR5SSTR3SSTR1SSTR4
Vapreotide SCHEMBL4827 0.83 SSTR2 (0.81) SSTR2SSTR5SSTR3SSTR1SSTR4
Vapreotide SCHEMBL29405608 0.83 SSTR2 (0.81) SSTR2SSTR5SSTR3SSTR1SSTR4
Vapreotide SCHEMBL30163296 0.83 SSTR2 (0.81) SSTR2SSTR5SSTR3SSTR1SSTR4
Vapreotide SCHEMBL4826 0.83 SSTR2 (0.81) SSTR2SSTR5SSTR3SSTR1SSTR4
Vapreotide SCHEMBL31632623 0.83 SSTR2 (0.81) SSTR2SSTR5SSTR3SSTR1SSTR4
SCHEMBL18872540 0.83 SSTR2 (0.68) SSTR2SSTR5SSTR3SSTR1SSTR4
SCHEMBL18872541 0.83 SSTR2 (0.68) SSTR2SSTR5SSTR3SSTR1SSTR4
Vapreotide SCHEMBL6369050 0.83 SSTR2 (0.81) SSTR2SSTR5SSTR3SSTR1SSTR4
Vapreotide SCHEMBL294911 0.83 SSTR2 (0.80) SSTR2SSTR5SSTR3SSTR1SSTR4

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-9750818-B2 Targeted conjugates and particles and formulations thereof TARVEDA THERAPEUTICS, INC. (US) 2017-09-05 — — US disclosed
US-20170095569-A1 TARGETED CONJUGATES AND PARTICLES AND FORMULATIONS THEREOF TVA (ABC), LLC 2017-04-06 — — 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-20170095569-A1 TARGETED CONJUGATES AND PARTICLES AND FORMULATIONS THEREOF SSTR5, SSTR1, SSTR4 SSTR2 4/4885SSTR5 1/4885SSTR3 5/4885

“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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