SCHEMBL13881402

SCHEMBL13881402

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

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 11/20 0.54
▸ ITGAV P06756 7/20 0.54
▸ ITGB5 P18084 4/20 0.54
▸ ITGA2B P08514 4/20 0.52
▸ MC4R P32245 9/20 0.52
▸ MC5R P33032 9/20 0.52
▸ MC3R P41968 9/20 0.52
▸ MC1R Q01726 9/20 0.52
▸ ITGB1 P05556 1/20 0.51
▸ ITGA5 P08648 1/20 0.51

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
SCHEMBL19605458 0.93 ITGB3 (0.58) ITGB3ITGAVITGB5ITGA2BMC4R
SCHEMBL20888358 0.93 ITGB3 (0.58) ITGB3ITGAVITGB5ITGA2BMC4R
SCHEMBL21766911 0.93 ITGB3 (0.58) ITGB3ITGAVITGB5ITGA2BMC4R
SCHEMBL22872704 0.92 ITGB3 (0.59) ITGB3ITGAVITGB5ITGA2BMC4R
SCHEMBL23018575 0.90 ITGB3 (0.55) ITGB3ITGAVITGB5ITGA2BMC4R
SCHEMBL14885797 0.90 ITGB3 (0.55) ITGB3ITGAVITGB5ITGA2BMC4R
SCHEMBL12496488 0.90 ITGB3 (0.55) ITGB3ITGAVITGB5ITGA2BMC4R
SCHEMBL13881412 0.89 ITGB3 (0.58) ITGB3ITGAVITGB5ITGA2BMC4R
SCHEMBL21475019 0.89 ITGB3 (0.55) ITGB3ITGAVITGB5ITGA2BMC4R
SCHEMBL14885799 0.89 ITGB3 (0.55) ITGB3ITGAVITGB5ITGA2BMC4R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10753941-B2 Biocompatible nanoparticles with aggregation induced emission characteristics as fluorescent bioprobes and methods of using the same for in vitro and in vivo imaging THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2020-08-25 — — US disclosed
US-20140328764-A1 Biocompatible Nanoparticles with Aggregation Induced Emission Characteristics as Fluorescent Bioprobes and Methods of Using the Same for In Vitro and In Vivo Imaging NATIONAL UNIVERSITY OF SINGAPORE (SG) 2014-11-06 — — US disclosed
US-20140328764-A1 Biocompatible Nanoparticles with Aggregation Induced Emission Characteristics as Fluorescent Bioprobes and Methods of Using the Same for In Vitro and In Vivo Imaging NATIONAL UNIVERSITY OF SINGAPORE (SG) 2014-11-06 — — US disclosed
US-20090110662-A1 MODIFICATION OF BIOLOGICAL TARGETING GROUPS FOR THE TREATMENT OF CANCER INTEZYNE TECHNOLOGIES, INC. (US) 2009-04-30 — — US disclosed
US-20090110662-A1 MODIFICATION OF BIOLOGICAL TARGETING GROUPS FOR THE TREATMENT OF CANCER INTEZYNE TECHNOLOGIES, INC. (US) 2009-04-30 — — US disclosed
WO-2008134761-A2 MODIFICATION OF BIOLOGICAL TARGETING GROUPS FOR THE TREATMENT OF CANCER INTEZYNE TECHNOLOGIES, INC. (US) 2008-11-06 — — WO 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-20090110662-A1 MODIFICATION OF BIOLOGICAL TARGETING GROUPS FOR THE TREATMENT OF CANCER CD44, CD47, EPCAM ITGB3 24/4885ITGAV 70/4885ITGB5 26/4885
US-10753941-B2 Biocompatible nanoparticles with aggregation induced emission characteristics as fluorescent bioprobes and methods of using the same for in vitro and in vivo imaging LGALS3, LGALS1, CD63 ITGB3 609/4885ITGAV 1436/4885ITGB5 2902/4885
US-20140328764-A1 Biocompatible Nanoparticles with Aggregation Induced Emission Characteristics as Fluorescent Bioprobes and Methods of Using the Same for In Vitro and In Vivo Imaging LGALS3, LGALS1, CD63 ITGB3 609/4885ITGAV 1436/4885ITGB5 2902/4885

“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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