SCHEMBL13113564

SCHEMBL13113564

C[C@H](NC(=O)CCC(=O)NCCN1CCNC(C)(C)/C(=N\O)C/C(=N/O)C(C)(C)NCC1)C(=O)N[C@H]1CSSC[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@H]2CSSC[C@@H](C(=O)NCC(=O)O)NC(=O)[C@H](Cc3ccccc3)NC2=O)NC(=O)[C@H](CC(=O)O)NC1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KLK7 P49862 2/20 0.44
▸ SSTR2 P30874 5/20 0.44
▸ SSTR1 P30872 4/20 0.44
▸ SSTR4 P31391 4/20 0.44
▸ SSTR3 P32745 4/20 0.44
▸ SSTR5 P35346 4/20 0.44
▸ TSLP Q969D9 1/20 0.43
▸ ALB P02768 1/20 0.43
▸ AVPR1A P37288 3/20 0.42
▸ AVPR2 P30518 2/20 0.42
▸ OXTR P30559 2/20 0.42
▸ AVPR1B P47901 2/20 0.42
▸ KLKB1 P03952 3/20 0.41
▸ BCL2L1 Q07817 1/20 0.41
▸ BAD Q92934 1/20 0.41
▸ PLAU P00749 1/20 0.41
▸ F12 P00748 1/20 0.41
▸ TBXA2R P21731 1/20 0.40
▸ PDE4D Q08499 1/20 0.40
▸ PDE3A Q14432 1/20 0.40

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
SCHEMBL13113585 0.83 PLAU (0.51) KLK7SSTR2SSTR1SSTR4SSTR3
SCHEMBL12085211 0.83 ALB (0.44) KLK7SSTR2SSTR1SSTR4SSTR3
SCHEMBL13113570 0.80 SSTR2 (0.44) KLK7SSTR2SSTR1SSTR4SSTR3
SCHEMBL16349623 0.79 PLAU (0.46) KLK7SSTR2SSTR1SSTR4SSTR3
SCHEMBL16349705 0.78 SSTR2 (0.47) KLK7SSTR2SSTR1SSTR4SSTR3
SCHEMBL13113567 0.78 AVPR1A (0.35) KLK7SSTR2SSTR1SSTR4SSTR3
SCHEMBL13113566 0.77 SSTR2 (0.50) KLK7SSTR2SSTR1SSTR4SSTR3
SCHEMBL13287941 0.77 SSTR2 (0.50) KLK7SSTR2SSTR1SSTR4SSTR3
SCHEMBL12082795 0.76 IL23R (0.52) SSTR2SSTR1SSTR4SSTR3SSTR5
SCHEMBL13287918 0.76 ALB (0.47) KLK7SSTR2SSTR1SSTR4SSTR3

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-20100256330-A1 Peptide-based compounds CUTHBERTSON ALAN 2010-10-07 — — 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-20100256330-A1 Peptide-based compounds VCAM1, FLT4, KDR KLK7 554/4885SSTR2 219/4885SSTR1 201/4885

“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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