SCHEMBL9290489

SCHEMBL9290489

CNCCCC[C@@H]1NC(=O)CSC(C(C)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CSSC)NC1=O

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MC4R P32245 9/20 0.47
▸ MC5R P33032 9/20 0.47
▸ MC3R P41968 9/20 0.47
▸ MC1R Q01726 9/20 0.47
▸ ITGB3 P05106 10/20 0.46
▸ ITGAV P06756 6/20 0.46
▸ ITGB1 P05556 2/20 0.46
▸ ITGA5 P08648 2/20 0.46
▸ ITGB5 P18084 3/20 0.44
▸ ITGA2B P08514 4/20 0.43
▸ CTSG P08311 1/20 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
SCHEMBL13234838 0.94 MC4R (0.47) MC4RMC5RMC3RMC1RITGB3
SCHEMBL12482133 0.93 MC4R (0.49) MC4RMC5RMC3RMC1RITGB3
SCHEMBL10033240 0.89 MC4R (0.55) MC4RMC5RMC3RMC1RITGB3
SCHEMBL13267717 0.87 MC4R (0.48) MC4RMC5RMC3RMC1RITGB3
SCHEMBL12148757 0.87 ITGB3 (0.55) MC4RMC5RMC3RMC1RITGB3
SCHEMBL22970320 0.87 ITGB3 (0.55) MC4RMC5RMC3RMC1RITGB3
SCHEMBL12307752 0.84 MC4R (0.53) MC4RMC5RMC3RMC1RITGB3
SCHEMBL11988715 0.84 ITGB3 (0.47) MC4RMC5RMC3RMC1RITGB3
SCHEMBL12307274 0.83 MC4R (0.55) MC4RMC5RMC3RMC1RITGB3
SCHEMBL18507118 0.82 MC4R (0.52) MC4RMC5RMC3RMC1RITGB3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120237444-A1 IODINE RADIOLABELLING METHOD GE HEALTHCARE LIMITED (GB) 2012-09-20 — — US disclosed
US-20120134923-A1 RADIOIODINATION METHOD GE HEALTHCARE LIMITED (GB) 2012-05-31 — — US disclosed
US-20100196270-A1 RADIOFLUORINATION METHODS GE HEALTHCARE AS (NO) 2010-08-05 — — 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 (3 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-20120237444-A1 IODINE RADIOLABELLING METHOD BTD, BTN3A1, BTF3 MC4R 483/4885MC5R 253/4885MC3R 187/4885
US-20100196270-A1 RADIOFLUORINATION METHODS CYP2F1, CYP4F2, CYP4F3 MC4R 2530/4885MC5R 1392/4885MC3R 2134/4885
US-20120134923-A1 RADIOIODINATION METHOD BTD, BTF3, BTN3A1 MC4R 234/4885MC5R 187/4885MC3R 110/4885

“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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