SCHEMBL9909400

SCHEMBL9909400

N=C(N)NCCC[C@@H]1NC(=O)[C@H](CS)NC(=O)[C@H](CCCCN)NC(=O)CSC[C@@H](C(=O)NCCOCCOCCOCCNC(=O)COCC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CS)NC(=O)[C@H](CC(=O)O)NC(=O)CNC1=O

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 7/20 0.55
ITGAV P06756 6/20 0.55
MC4R P32245 6/20 0.50
MC5R P33032 6/20 0.50
MC3R P41968 6/20 0.50
MC1R Q01726 6/20 0.50
ITGB1 P05556 2/20 0.50
ITGA5 P08648 2/20 0.50
ITGB5 P18084 3/20 0.49
CTSG P08311 2/20 0.48
KLKB1 P03952 1/20 0.47
SLC40A1 Q9NP59 2/20 0.47
PLAU P00749 1/20 0.46
KEAP1 Q14145 1/20 0.44
NFE2L2 Q16236 1/20 0.44
ITGA2B P08514 1/20 0.44

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
SCHEMBL22003475 1.00 ITGB3 (0.55) ITGB3ITGAVMC4RMC5RMC3R
SCHEMBL10052602 1.00 ITGB3 (0.55) ITGB3ITGAVMC4RMC5RMC3R
SCHEMBL16298655 1.00 ITGB3 (0.55) ITGB3ITGAVMC4RMC5RMC3R
SCHEMBL26200853 0.96 ITGB3 (0.55) ITGB3ITGAVMC4RMC5RMC3R
SCHEMBL14115074 0.96 ITGB3 (0.56) ITGB3ITGAVMC4RMC5RMC3R
SCHEMBL19725710 0.95 ITGB3 (0.56) ITGB3ITGAVMC4RMC5RMC3R
SCHEMBL15188715 0.95 ITGB3 (0.56) ITGB3ITGAVMC4RMC5RMC3R
SCHEMBL12361592 0.95 MC4R (0.51) ITGB3ITGAVMC4RMC5RMC3R
SCHEMBL19725628 0.95 ITGB3 (0.56) ITGB3ITGAVMC4RMC5RMC3R
SCHEMBL13870347 0.94 ITGB3 (0.63) ITGB3ITGAVMC4RMC5RMC3R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11723991-B2 Radiopharmaceutical compositions SERAC HEALTHCARE LIMITED (GB) 2023-08-15 US disclosed
US-20210060189-A1 RADIOPHARMACEUTICAL COMPOSITIONS SERAC HEALTHCARE LIMITED (GB) 2021-03-04 US disclosed
US-9987382-B2 Radiotracer compositions GE HEALTHCARE LIMITED (GB) 2018-06-05 US disclosed
US-20160022847-A1 Radiotracer Compositions GE HEALTHCARE LIMITED (GB) 2016-01-28 US disclosed
US-8415510-B2 Synthesis of a PEG-6 moiety from commercial low-cost chemicals GE HEALTHCARE LIMITED (GB) 2013-04-09 US disclosed
US-8197793-B2 Methods of radiofluorination of biologically active vectors GE HEALTHCARE AS (NO) 2012-06-12 US disclosed
US-7875701-B2 A radiopharmaceutical based on a clyclic oligopeptide containing a fluorine isotope and the triplet amino acid sequence of arginine-glycine-aspartic acid (RGD); angiogenesis inhibitors by binding to integrin receptors; imaging using tomography; anticariogenic , -tumor and - arthritic agents; cardiotonic GE HEALTHCARE AS (NO) 2011-01-25 US disclosed
US-20100068139-A1 Methods of radiofluorination of biologically active vectors GE HEALTHCARE AS (NO) 2010-03-18 US disclosed
US-20080095701-A1 Diagnostic Compounds SOLBAKKEN MAGNE 2008-04-24 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 ITGB3 1138/4885ITGAV 1221/4885MC4R 2453/4885
US-20080095701-A1 Diagnostic Compounds CA13, SLCO1B3, KLK3 ITGB3 111/4885ITGAV 481/4885MC4R 1747/4885
US-11723991-B2 Radiopharmaceutical compositions TYMP, KIT, CHEK1 ITGB3 2816/4885ITGAV 3650/4885MC4R 576/4885
US-20210060189-A1 RADIOPHARMACEUTICAL COMPOSITIONS TYMP, KIT, CHEK1 ITGB3 2816/4885ITGAV 3650/4885MC4R 576/4885
US-20100068139-A1 Methods of radiofluorination of biologically active vectors DOHH, VGF, HNRNPH3 ITGB3 917/4885ITGAV 180/4885MC4R 3215/4885

“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.