SCHEMBL13113570

SCHEMBL13113570

CCOC(C)SCC(=O)NC(CCCC(=O)N[C@@H](C)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)C(=O)NCC(=O)NCC(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SSTR2 P30874 3/20 0.44
▸ SSTR1 P30872 2/20 0.44
▸ SSTR4 P31391 2/20 0.44
▸ SSTR3 P32745 2/20 0.44
▸ SSTR5 P35346 2/20 0.44
▸ TSLP Q969D9 2/20 0.44
▸ ALB P02768 1/20 0.44
▸ KLK7 P49862 2/20 0.43
▸ BCL2L1 Q07817 1/20 0.43
▸ BAD Q92934 1/20 0.43
▸ PLAU P00749 1/20 0.42
▸ F12 P00748 1/20 0.42
▸ CSNK2A2 P19784 1/20 0.41
▸ CSNK2B P67870 1/20 0.41
▸ CSNK2A1 P68400 1/20 0.41
▸ CSNK2A3 Q8NEV1 1/20 0.41
▸ EPHA2 P29317 1/20 0.41
▸ KRAS P01116 2/20 0.41
▸ BECN1 Q14457 3/20 0.41
▸ KLKB1 P03952 1/20 0.41

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 0.86 PLAU (0.51) SSTR2SSTR1SSTR4SSTR3SSTR5
SCHEMBL16349705 0.83 SSTR2 (0.47) SSTR2SSTR1SSTR4SSTR3SSTR5
SCHEMBL12085211 0.82 ALB (0.44) SSTR2SSTR1SSTR4SSTR3SSTR5
SCHEMBL16349623 0.82 PLAU (0.46) SSTR2SSTR1SSTR4SSTR3SSTR5
SCHEMBL13287941 0.81 SSTR2 (0.50) SSTR2SSTR1SSTR4SSTR3SSTR5
SCHEMBL12082795 0.80 IL23R (0.52) SSTR2SSTR1SSTR4SSTR3SSTR5
SCHEMBL13113564 0.80 KLK7 (0.44) SSTR2SSTR1SSTR4SSTR3SSTR5
SCHEMBL13113566 0.80 SSTR2 (0.50) SSTR2SSTR1SSTR4SSTR3SSTR5
SCHEMBL13287950 0.76 ALB (0.46) SSTR2SSTR1SSTR4SSTR3SSTR5
SCHEMBL12082709 0.76 AVPR2 (0.34) TSLPALBKLK7BCL2L1BAD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100256330-A1 Peptide-based compounds CUTHBERTSON ALAN 2010-10-07 — — US disclosed
US-20100256330-A1 Peptide-based compounds CUTHBERTSON ALAN 2010-10-07 — — US disclosed
US-7737252-B2 Peptide-based compounds GE HEALTHCARE AS (NO) 2010-06-15 — — 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 SSTR2 219/4885SSTR1 201/4885SSTR4 55/4885

“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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