SCHEMBL13430222

SCHEMBL13430222

CCNC(=O)[C@@H]1CSCC(=O)N[C@@H](CCCCNC(=O)C(Cc2cn(CC[18F])nn2)NC(C)=O)C(=O)N[C@H]2CSSC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC2=O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MC4R P32245 7/20 0.49
▸ MC5R P33032 7/20 0.49
▸ MC3R P41968 7/20 0.49
▸ MC1R Q01726 7/20 0.49
▸ CTSG P08311 1/20 0.48
▸ TSLP Q969D9 9/20 0.48
▸ PLAU P00749 1/20 0.47
▸ KLKB1 P03952 1/20 0.46
▸ ITGB3 P05106 1/20 0.46
▸ ITGB1 P05556 1/20 0.46
▸ ITGAV P06756 1/20 0.46
▸ ITGA5 P08648 1/20 0.46
▸ ITGB5 P18084 1/20 0.46

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
SCHEMBL12407327 0.96 CTSG (0.48) MC4RMC5RMC3RMC1RCTSG
SCHEMBL13430220 0.86 CTSG (0.53) MC4RMC5RMC3RMC1RCTSG
SCHEMBL14096946 0.84 MC4R (0.59) MC4RMC5RMC3RMC1RCTSG
SCHEMBL11928873 0.83 MC4R (0.56) MC4RMC5RMC3RMC1RCTSG
SCHEMBL12407321 0.82 CTSG (0.53) MC4RMC5RMC3RMC1RCTSG
SCHEMBL15623630 0.81 CTSG (0.50) MC4RMC5RMC3RMC1RCTSG
SCHEMBL14004123 0.81 TSLP (0.57) MC4RMC5RMC3RMC1RCTSG
SCHEMBL14096826 0.80 CTSG (0.59) MC4RMC5RMC3RMC1RCTSG
SCHEMBL12918029 0.80 MC4R (0.57) MC4RMC5RMC3RMC1RCTSG
SCHEMBL9908255 0.80 MC4R (0.57) MC4RMC5RMC3RMC1RCTSG

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 MC4R 1907/4885MC5R 2075/4885MC3R 939/4885

“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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