SCHEMBL9908287

SCHEMBL9908287

CCC(=O)NCCCC[C@@H]1NC(=O)CSC[C@@H](C(C)=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

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MC4R P32245 9/20 0.57
MC5R P33032 9/20 0.57
MC3R P41968 9/20 0.57
MC1R Q01726 9/20 0.57
CTSG P08311 2/20 0.53
PLAU P00749 1/20 0.52
TSLP Q969D9 4/20 0.51
ITGB3 P05106 3/20 0.51
ITGAV P06756 3/20 0.51
ITGB1 P05556 1/20 0.51
ITGA5 P08648 1/20 0.51
ITGB5 P18084 1/20 0.51
GRB7 Q14451 1/20 0.51

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
SCHEMBL12918029 0.94 MC4R (0.57) MC4RMC5RMC3RMC1RCTSG
SCHEMBL9908255 0.94 MC4R (0.57) MC4RMC5RMC3RMC1RCTSG
SCHEMBL14004103 0.94 MC4R (0.61) MC4RMC5RMC3RMC1RCTSG
SCHEMBL11928873 0.94 MC4R (0.56) MC4RMC5RMC3RMC1RCTSG
SCHEMBL14970192 0.94 MC4R (0.56) MC4RMC5RMC3RMC1RCTSG
SCHEMBL13246591 0.94 MC4R (0.63) MC4RMC5RMC3RMC1RCTSG
SCHEMBL13874838 0.94 MC4R (0.63) MC4RMC5RMC3RMC1RCTSG
SCHEMBL13485731 0.92 MC4R (0.57) MC4RMC5RMC3RMC1RCTSG
SCHEMBL13214379 0.91 MC4R (0.52) MC4RMC5RMC3RMC1RCTSG
SCHEMBL14082355 0.91 MC4R (0.58) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8211403-B2 Radiolabelling methods HAMMERSMITH IMANET LIMITED (GB) 2012-07-03 US disclosed
US-8197793-B2 Methods of radiofluorination of biologically active vectors GE HEALTHCARE AS (NO) 2012-06-12 US disclosed
US-20100068139-A1 Methods of radiofluorination of biologically active vectors GE HEALTHCARE AS (NO) 2010-03-18 US disclosed
US-20100040550-A1 RADIOLABELLING METHODS HAMMERSMITH IMANET LIMITED (GB) 2010-02-18 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 (2 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-20100040550-A1 RADIOLABELLING METHODS MPI, VIP, SLC40A1 MC4R 2624/4885MC5R 2811/4885MC3R 2002/4885
US-20100068139-A1 Methods of radiofluorination of biologically active vectors DOHH, VGF, HNRNPH3 MC4R 3215/4885MC5R 2746/4885MC3R 2694/4885

“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.