SCHEMBL13456599

SCHEMBL13456599

C#CCC(NC(C)=O)C(=O)NCCCC[C@@H]1NC(=O)CSC[C@@H](C(=O)NCC)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CSS)NC1=O

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CTSG P08311 2/20 0.48
▸ PLAU P00749 2/20 0.47
▸ ALB P02768 1/20 0.45
▸ MC4R P32245 5/20 0.43
▸ MC5R P33032 5/20 0.43
▸ MC3R P41968 5/20 0.43
▸ MC1R Q01726 5/20 0.43
▸ CACNA1B Q00975 1/20 0.43
▸ TSLP Q969D9 5/20 0.43
▸ ITGB3 P05106 1/20 0.42
▸ ITGB1 P05556 1/20 0.42
▸ ITGAV P06756 1/20 0.42
▸ ITGA5 P08648 1/20 0.42
▸ ITGB5 P18084 1/20 0.42
▸ KLKB1 P03952 3/20 0.42

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
SCHEMBL13430220 0.90 CTSG (0.53) CTSGPLAUMC4RMC5RMC3R
SCHEMBL12407321 0.86 CTSG (0.53) CTSGPLAUMC4RMC5RMC3R
SCHEMBL15623630 0.85 CTSG (0.50) CTSGPLAUMC4RMC5RMC3R
SCHEMBL17320143 0.83 ITGB3 (0.52) CTSGPLAUMC4RMC5RMC3R
SCHEMBL13157383 0.81 CTSG (0.50) CTSGPLAUMC4RMC5RMC3R
SCHEMBL14817105 0.81 CTSG (0.55) CTSGPLAUMC4RMC5RMC3R
SCHEMBL13689239 0.79 CTSG (0.54) CTSGPLAUMC4RMC5RMC3R
SCHEMBL14096946 0.79 MC4R (0.59) CTSGPLAUMC4RMC5RMC3R
SCHEMBL22382215 0.78 TSLP (0.54) CTSGMC4RMC5RMC3RMC1R
SCHEMBL14107743 0.78 TSLP (0.54) CTSGMC4RMC5RMC3RMC1R

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-20100069609-A1 CHEMICAL METHODS AND APPARATUS ARSTAD ERIK 2010-03-18 — — 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-20100069609-A1 CHEMICAL METHODS AND APPARATUS C9, KDR, TIE1 CTSG 345/4885PLAU 561/4885ALB 4053/4885

“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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