SCHEMBL13113585

SCHEMBL13113585

C[C@H](N)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 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PLAU P00749 3/20 0.51
▸ CTSG P08311 2/20 0.50
▸ KLKB1 P03952 4/20 0.49
▸ TSLP Q969D9 1/20 0.47
▸ EPHA2 P29317 1/20 0.47
▸ KLK7 P49862 2/20 0.46
▸ SSTR1 P30872 2/20 0.46
▸ SSTR2 P30874 2/20 0.46
▸ SSTR4 P31391 2/20 0.46
▸ SSTR3 P32745 2/20 0.46
▸ SSTR5 P35346 2/20 0.46
▸ F12 P00748 2/20 0.46
▸ BCL2L1 Q07817 1/20 0.45
▸ BAD Q92934 1/20 0.45
▸ AVPR2 P30518 1/20 0.45
▸ OXTR P30559 1/20 0.45
▸ AVPR1A P37288 1/20 0.45
▸ AVPR1B P47901 1/20 0.45
▸ KRAS P01116 1/20 0.45

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
SCHEMBL16349623 0.95 PLAU (0.46) PLAUCTSGKLKB1TSLPEPHA2
SCHEMBL16349705 0.89 SSTR2 (0.47) PLAUCTSGKLKB1KLK7SSTR1
SCHEMBL13113566 0.89 SSTR2 (0.50) PLAUCTSGKLKB1KLK7SSTR1
SCHEMBL13287941 0.88 SSTR2 (0.50) PLAUCTSGKLKB1KLK7SSTR1
SCHEMBL12082795 0.87 IL23R (0.52) PLAUCTSGTSLPEPHA2SSTR1
SCHEMBL13113570 0.86 SSTR2 (0.44) PLAUKLKB1TSLPEPHA2KLK7
SCHEMBL12085211 0.84 ALB (0.44) PLAUCTSGKLKB1TSLPEPHA2
SCHEMBL13113564 0.83 KLK7 (0.44) PLAUKLKB1TSLPEPHA2KLK7
SCHEMBL13287918 0.81 ALB (0.47) PLAUCTSGKLKB1TSLPEPHA2
SCHEMBL13319649 0.81 CTSG (0.69) PLAUCTSGKLKB1TSLP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8258101-B2 Peptide-based compounds GE HEALTHCARE AS (NO) 2012-09-04 — — US disclosed
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 PLAU 1048/4885CTSG 601/4885KLKB1 202/4885

“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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