Sugi Predict

Sugi Predict / Compounds / SCHEMBL14198546

SCHEMBL14198546

SCHEMBL14198546

CC(=O)[C@@H]1CSCC(=O)N[C@@H](CCCCNC(=O)COCC(=O)NCCOCCNC(=O)CON)C(=O)N[C@H]2CSSC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC2=O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 5/20 0.57
▸ ITGAV P06756 5/20 0.57
▸ MC4R P32245 7/20 0.54
▸ MC5R P33032 7/20 0.54
▸ MC3R P41968 7/20 0.54
▸ MC1R Q01726 7/20 0.54
▸ CTSG P08311 1/20 0.49
▸ ITGB1 P05556 2/20 0.49
▸ ITGA5 P08648 2/20 0.49
▸ TSLP Q969D9 5/20 0.49
▸ ITGB5 P18084 2/20 0.48
▸ PLAU P00749 1/20 0.47
▸ GRB7 Q14451 1/20 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
SCHEMBL13531889 0.93 ITGB3 (0.60) ITGB3ITGAVMC4RMC5RMC3R
SCHEMBL11928877 0.93 ITGB3 (0.64) ITGB3ITGAVMC4RMC5RMC3R
SCHEMBL15188716 0.93 ITGB3 (0.59) ITGB3ITGAVMC4RMC5RMC3R
SCHEMBL14198551 0.91 ITGB3 (0.55) ITGB3ITGAVMC4RMC5RMC3R
SCHEMBL9908287 0.90 MC4R (0.57) ITGB3ITGAVMC4RMC5RMC3R
SCHEMBL9908255 0.90 MC4R (0.57) ITGB3ITGAVMC4RMC5RMC3R
SCHEMBL13014846 0.89 ITGB3 (0.58) ITGB3ITGAVMC4RMC5RMC3R
SCHEMBL14970192 0.89 MC4R (0.56) ITGB3ITGAVMC4RMC5RMC3R
SCHEMBL12918029 0.89 MC4R (0.57) ITGB3ITGAVMC4RMC5RMC3R
SCHEMBL14004103 0.89 MC4R (0.61) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20080095701-A1 Diagnostic Compounds CA13, SLCO1B3, KLK3 ITGB3 111/4885ITGAV 481/4885MC4R 1747/4885

“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.