SCHEMBL18293540

SCHEMBL18293540

N=C(N)NCCCC1NC(=O)C(CCNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)CC(=O)O)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(=O)O)NC(=O)CNC1=O

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 12/20 0.48
▸ ITGAV P06756 8/20 0.48
▸ ITGB5 P18084 4/20 0.48
▸ MC4R P32245 8/20 0.47
▸ MC5R P33032 8/20 0.47
▸ MC3R P41968 8/20 0.47
▸ MC1R Q01726 8/20 0.47
▸ ITGA2B P08514 4/20 0.46
▸ ITGB1 P05556 1/20 0.46
▸ ITGA5 P08648 1/20 0.46

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
SCHEMBL18293541 0.90 FURIN (0.40) ITGB3ITGAVITGB5MC4RMC5R
SCHEMBL20888358 0.86 ITGB3 (0.58) ITGB3ITGAVITGB5MC4RMC5R
SCHEMBL19605458 0.86 ITGB3 (0.58) ITGB3ITGAVITGB5MC4RMC5R
SCHEMBL21766911 0.86 ITGB3 (0.58) ITGB3ITGAVITGB5MC4RMC5R
SCHEMBL7738281 0.85 ITGB3 (0.52) ITGB3ITGAVITGB5MC4RMC5R
SCHEMBL22872704 0.84 ITGB3 (0.59) ITGB3ITGAVITGB5MC4RMC5R
SCHEMBL24285403 0.84 ITGB3 (0.53) ITGB3ITGAVITGB5MC4RMC5R
SCHEMBL22807688 0.84 ITGB3 (0.53) ITGB3ITGAVITGB5MC4RMC5R
SCHEMBL20754200 0.84 ITGB3 (0.53) ITGB3ITGAVITGB5MC4RMC5R
SCHEMBL22758169 0.84 ITGB3 (0.53) ITGB3ITGAVITGB5MC4RMC5R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160356723-A1 Light-Up Probes Based On Fluorogens With Aggregation Induced Emission Characteristics For Cellular Imaging And Drug Screening NATIONAL UNIVERSITY OF SINGAPORE (SG) 2016-12-08 — — 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 (1 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-20160356723-A1 Light-Up Probes Based On Fluorogens With Aggregation Induced Emission Characteristics For Cellular Imaging And Drug Screening FOLH1, GGT1, GSTP1 ITGB3 3731/4885ITGAV 4523/4885ITGB5 4734/4885

“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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