SCHEMBL12407327

SCHEMBL12407327

CNC(=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 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CTSG P08311 1/20 0.48
▸ MC4R P32245 6/20 0.48
▸ MC5R P33032 6/20 0.48
▸ MC3R P41968 6/20 0.48
▸ MC1R Q01726 6/20 0.48
▸ TSLP Q969D9 10/20 0.47
▸ ITGB3 P05106 1/20 0.47
▸ ITGB1 P05556 1/20 0.47
▸ ITGAV P06756 1/20 0.47
▸ ITGA5 P08648 1/20 0.47
▸ ITGB5 P18084 1/20 0.47
▸ PLAU P00749 1/20 0.46
▸ KLKB1 P03952 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
SCHEMBL13430222 0.96 MC4R (0.49) CTSGMC4RMC5RMC3RMC1R
SCHEMBL12407321 0.86 CTSG (0.53) CTSGMC4RMC5RMC3RMC1R
SCHEMBL13430220 0.82 CTSG (0.53) CTSGMC4RMC5RMC3RMC1R
SCHEMBL9908255 0.80 MC4R (0.57) CTSGMC4RMC5RMC3RMC1R
SCHEMBL14004123 0.80 TSLP (0.57) CTSGMC4RMC5RMC3RMC1R
SCHEMBL15623630 0.80 CTSG (0.50) CTSGMC4RMC5RMC3RMC1R
SCHEMBL14970192 0.80 MC4R (0.56) CTSGMC4RMC5RMC3RMC1R
SCHEMBL10033237 0.79 ITGB3 (0.64) CTSGMC4RMC5RMC3RMC1R
SCHEMBL14096946 0.79 MC4R (0.59) CTSGMC4RMC5RMC3RMC1R
SCHEMBL11928873 0.79 MC4R (0.56) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7972588-B2 Radiolabelling methods HAMMERSMITH IMANET LIMITED (GB) 2011-07-05 — — US disclosed
US-20090311177-A1 Radiolabelling Methods GE HEALTHCARE LIMITED (GB) 2009-12-17 — — 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-20090311177-A1 Radiolabelling Methods CTSV, NGLY1, MAN2B1 CTSG 54/4885MC4R 3092/4885MC5R 3371/4885

“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.

Send feedback