SCHEMBL13870381

SCHEMBL13870381

C/C(=N/O)C(C)(C)NCCC(CCNC(=O)CCCC(=O)NCCCC[C@@H]1NC(=O)CSC[C@@H](C(=O)NCCOCCOCCOCCNC(=O)COCC(=O)NCCOCCOCCOCCNC(=O)COCC(=O)NCCOCCOCCOCCNC(=O)COCC(=O)NCCOCCOCCOCCNC(=O)COCC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N2)CCNC(C)(C)/C(C)=N\O

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 3/20 0.56
▸ ITGAV P06756 3/20 0.56
▸ MC4R P32245 5/20 0.47
▸ MC5R P33032 5/20 0.47
▸ MC3R P41968 5/20 0.47
▸ MC1R Q01726 5/20 0.47
▸ CTSG P08311 2/20 0.47
▸ PLAU P00749 2/20 0.46
▸ ITGB1 P05556 1/20 0.45
▸ ITGA5 P08648 1/20 0.45
▸ TSLP Q969D9 5/20 0.44
▸ ALB P02768 1/20 0.44
▸ KEAP1 Q14145 1/20 0.44
▸ NFE2L2 Q16236 1/20 0.44
▸ KLKB1 P03952 1/20 0.43

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
SCHEMBL13748431 1.00 ITGB3 (0.56) ITGB3ITGAVMC4RMC5RMC3R
SCHEMBL13748443 1.00 ITGB3 (0.56) ITGB3ITGAVMC4RMC5RMC3R
Maraciclatide SCHEMBL29408682 1.00 ITGB3 (0.55) ITGB3ITGAVMC4RMC5RMC3R
SCHEMBL12353644 0.97 ITGB3 (0.51) ITGB3ITGAVMC4RMC5RMC3R
SCHEMBL14324942 0.96 ITGB3 (0.53) ITGB3ITGAVMC4RMC5RMC3R
SCHEMBL12353684 0.96 ITGB3 (0.50) ITGB3ITGAVMC4RMC5RMC3R
SCHEMBL13061299 0.95 ITGB3 (0.49) ITGB3ITGAVMC4RMC5RMC3R
SCHEMBL12462751 0.95 ITGB3 (0.49) ITGB3ITGAVMC4RMC5RMC3R
SCHEMBL20809940 0.95 ITGB3 (0.49) ITGB3ITGAVMC4RMC5RMC3R
SCHEMBL13887996 0.95 ITGB3 (0.49) ITGB3ITGAVMC4RMC5RMC3R

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-8299030-B2 Peptide-based compounds GE HEALTHCARE LIMITED (GB) 2012-10-30 — — US disclosed
US-20120020882-A1 PEPTIDE-BASED COMPOUNDS GE HEALTHCARE AS (NO) 2012-01-26 — — US disclosed
US-7521419-B2 Peptide-based compounds GE HEALTHCARE AS (NO) 2009-04-21 — — US disclosed
US-7521419-B2 Peptide-based compounds GE HEALTHCARE AS (NO) 2009-04-21 — — 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-20120020882-A1 PEPTIDE-BASED COMPOUNDS ITGB3, ITGAV, SELPLG ITGB3 1/4885ITGAV 2/4885MC4R 874/4885

“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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