SCHEMBL14970192

SCHEMBL14970192

CNCCCC[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 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MC4R P32245 9/20 0.56
MC5R P33032 9/20 0.56
MC3R P41968 9/20 0.56
MC1R Q01726 9/20 0.56
CTSG P08311 2/20 0.54
ITGB3 P05106 1/20 0.52
ITGB1 P05556 1/20 0.52
ITGAV P06756 1/20 0.52
ITGA5 P08648 1/20 0.52
ITGB5 P18084 1/20 0.52
GRB7 Q14451 1/20 0.52
PLAU P00749 1/20 0.51
TSLP Q969D9 5/20 0.51
CACNA1B Q00975 1/20 0.50

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
SCHEMBL9908255 0.96 MC4R (0.57) MC4RMC5RMC3RMC1RCTSG
SCHEMBL12918029 0.94 MC4R (0.57) MC4RMC5RMC3RMC1RCTSG
SCHEMBL14004103 0.94 MC4R (0.61) MC4RMC5RMC3RMC1RCTSG
SCHEMBL9908287 0.94 MC4R (0.57) MC4RMC5RMC3RMC1RCTSG
SCHEMBL15623628 0.94 MC4R (0.57) MC4RMC5RMC3RMC1RCTSG
SCHEMBL13874838 0.94 MC4R (0.63) MC4RMC5RMC3RMC1RCTSG
SCHEMBL13246591 0.94 MC4R (0.63) MC4RMC5RMC3RMC1RCTSG
SCHEMBL12482122 0.93 MC4R (0.57) MC4RMC5RMC3RMC1RCTSG
SCHEMBL15247336 0.93 MC4R (0.52) MC4RMC5RMC3RMC1RCTSG
SCHEMBL13485731 0.93 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160166717-A1 RADIOLABELLING METHOD GE HEALTHCARE LIMITED (GB) 2016-06-16 US disclosed
US-20160022847-A1 Radiotracer Compositions GE HEALTHCARE LIMITED (GB) 2016-01-28 US disclosed
US-9180213-B2 Radiotracer compositions GE HEALTHCARE LIMITED (GB) 2015-11-10 US disclosed
US-20140377178-A1 RADIOFLUORINATION METHOD UNIVERSITY OF SOUTHAMPTON (GB) 2014-12-25 US disclosed
US-8865125-B2 Radioiodination method GE HEALTHCARE LIMITED (GB) 2014-10-21 US disclosed
US-8679455-B2 Radiolabelling methods HAMMERSMITH IMANET LIMITED (GB) 2014-03-25 US disclosed
US-20130259804-A1 RADIOTRACER COMPOSITIONS GE HEALTHCARE LIMITED (GB) 2013-10-03 US disclosed
US-8530620-B2 Radiolabelling reagents and methods GE HEALTHCARE LIMITED (GB) 2013-09-10 US disclosed
US-20130224835-A1 RADIOLABELLING METHODS HAMMERSMITH IMANET LIMITED (GB) 2013-08-29 US disclosed
US-8444955-B2 Radiofluorination methods GE HEALTHCARE LIMITED (GB) 2013-05-21 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 (5 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-20160022847-A1 Radiotracer Compositions FOLR2, FOLR1, PAICS MC4R 2453/4885MC5R 2762/4885MC3R 2932/4885
US-20130224835-A1 RADIOLABELLING METHODS MPI, VIP, FOLH1 MC4R 2577/4885MC5R 2811/4885MC3R 2055/4885
US-20130259804-A1 RADIOTRACER COMPOSITIONS FOLR2, FOLR1, PAICS MC4R 2453/4885MC5R 2762/4885MC3R 2932/4885
US-20140377178-A1 RADIOFLUORINATION METHOD TFRC, AFF1, AFF2 MC4R 420/4885MC5R 465/4885MC3R 278/4885
US-20160166717-A1 RADIOLABELLING METHOD QPCT, ARF5, PAICS MC4R 2007/4885MC5R 1280/4885MC3R 1329/4885

“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.