SCHEMBL9908265

SCHEMBL9908265

N=C(N)NCCC[C@@H]1NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)CNC1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)NCCOCCOCCOCCNC(=O)COCC(N)=O)CSCC(=O)N[C@@H](CCCCN)C(=O)N2

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 5/20 0.63
ITGAV P06756 5/20 0.63
MC4R P32245 6/20 0.53
MC5R P33032 6/20 0.53
MC3R P41968 6/20 0.53
MC1R Q01726 6/20 0.53
CTSG P08311 2/20 0.52
ITGB1 P05556 2/20 0.50
ITGA5 P08648 2/20 0.50
ITGB5 P18084 2/20 0.50
KLKB1 P03952 1/20 0.50
PLAU P00749 2/20 0.50
CACNA1B Q00975 1/20 0.48
GRB7 Q14451 1/20 0.47
TSLP Q969D9 2/20 0.47

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
SCHEMBL13870357 1.00 ITGB3 (0.63) ITGB3ITGAVMC4RMC5RMC3R
SCHEMBL13870347 1.00 ITGB3 (0.63) ITGB3ITGAVMC4RMC5RMC3R
SCHEMBL13014846 0.96 ITGB3 (0.58) ITGB3ITGAVMC4RMC5RMC3R
SCHEMBL14090937 0.96 ITGB3 (0.64) ITGB3ITGAVMC4RMC5RMC3R
SCHEMBL12353635 0.95 ITGB3 (0.57) ITGB3ITGAVMC4RMC5RMC3R
SCHEMBL11928877 0.95 ITGB3 (0.64) ITGB3ITGAVMC4RMC5RMC3R
SCHEMBL11933451 0.94 ITGB3 (0.57) ITGB3ITGAVMC4RMC5RMC3R
SCHEMBL16298655 0.94 ITGB3 (0.55) ITGB3ITGAVMC4RMC5RMC3R
SCHEMBL22003475 0.94 ITGB3 (0.55) ITGB3ITGAVMC4RMC5RMC3R
SCHEMBL9909400 0.94 ITGB3 (0.55) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160303260-A1 18F-Labelled Aldehyde Compositions for Radiofluorination GE HEALTHCARE LIMITED (UK) 2016-10-20 US disclosed
US-20150139902-A1 PURIFICATION OF [18F] - FLUCICLATIDE GE HEALTHCARE LIMITED (GB) 2015-05-21 US disclosed
US-8241606-B2 Synthesis of a radiofluorinated peptide using photolabile protecting groups GE HEALTHCARE AS (NO) 2012-08-14 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-20100022746-A1 SYNTHESIS OF A RADIOFLUORINATED PEPTIDE USING PHOTOLABILE PROTECTING GROUPS GE HEALTHCARE AS (NO) 2010-01-28 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-20080095701-A1 Diagnostic Compounds CA13, SLCO1B3, KLK3 ITGB3 111/4885ITGAV 481/4885MC4R 1747/4885
US-20150139902-A1 PURIFICATION OF [18F] - FLUCICLATIDE PAICS, PFAS, FUCA2 ITGB3 2688/4885ITGAV 1670/4885MC4R 2205/4885
US-20100022746-A1 SYNTHESIS OF A RADIOFLUORINATED PEPTIDE USING PHOTOLABILE PROTECTING GROUPS QRFPR, DNPEP, VIP ITGB3 3556/4885ITGAV 3167/4885MC4R 631/4885
US-20160303260-A1 18F-Labelled Aldehyde Compositions for Radiofluorination ALDH1A1, ALDH2, ALDH5A1 ITGB3 438/4885ITGAV 666/4885MC4R 3799/4885
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.