SCHEMBL18293541

SCHEMBL18293541

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)CNC1O

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ FURIN P09958 1/20 0.40
▸ MC4R P32245 9/20 0.39
▸ MC5R P33032 9/20 0.39
▸ MC3R P41968 9/20 0.39
▸ MC1R Q01726 9/20 0.39
▸ ITGB3 P05106 8/20 0.39
▸ ITGAV P06756 8/20 0.39
▸ ITGB5 P18084 6/20 0.39
▸ NPR1 P16066 1/20 0.38
▸ NPR3 P17342 1/20 0.38
▸ CTSG P08311 1/20 0.38
▸ ITGB1 P05556 1/20 0.38
▸ ITGA5 P08648 1/20 0.38

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
SCHEMBL18293540 0.90 ITGB3 (0.48) MC4RMC5RMC3RMC1RITGB3
SCHEMBL18293542 0.84 ITGB3 (0.41) FURINMC4RMC5RMC3RMC1R
SCHEMBL20227423 0.81 ITGB3 (0.46) MC4RMC5RMC3RMC1RITGB3
SCHEMBL25028335 0.80 ITGB3 (0.41) MC4RMC5RMC3RMC1RITGB3
SCHEMBL7738281 0.75 ITGB3 (0.52) FURINMC4RMC5RMC3RMC1R
SCHEMBL20888358 0.75 ITGB3 (0.58) MC4RMC5RMC3RMC1RITGB3
SCHEMBL21766911 0.75 ITGB3 (0.58) MC4RMC5RMC3RMC1RITGB3
SCHEMBL19605458 0.75 ITGB3 (0.58) MC4RMC5RMC3RMC1RITGB3
SCHEMBL22807688 0.74 ITGB3 (0.53) MC4RMC5RMC3RMC1RITGB3
SCHEMBL20754200 0.74 ITGB3 (0.53) MC4RMC5RMC3RMC1RITGB3

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 FURIN 1312/4885MC4R 3536/4885MC5R 4807/4885

“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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