SCHEMBL13014744

SCHEMBL13014744

CCOCCOCCNC(=O)[C@@H]1CSCC(=O)N[C@@H](CCCCNC(=O)COCC(=O)NCCOCCOCCOCCOCCOCCNC(=O)CONC(=O)OC(C)(C)C)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 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 3/20 0.59
▸ ITGAV P06756 3/20 0.59
▸ MC4R P32245 13/20 0.51
▸ MC5R P33032 13/20 0.51
▸ MC3R P41968 13/20 0.51
▸ MC1R Q01726 13/20 0.51
▸ CTSG P08311 2/20 0.48
▸ PLAU P00749 1/20 0.47
▸ ITGB1 P05556 1/20 0.45
▸ ITGA5 P08648 1/20 0.45
▸ TSLP Q969D9 1/20 0.45

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
SCHEMBL9908267 0.97 ITGB3 (0.63) ITGB3ITGAVMC4RMC5RMC3R
SCHEMBL13014865 0.97 ITGB3 (0.63) ITGB3ITGAVMC4RMC5RMC3R
SCHEMBL13014695 0.96 ITGB3 (0.60) ITGB3ITGAVMC4RMC5RMC3R
SCHEMBL14845482 0.95 ITGB3 (0.52) ITGB3ITGAVMC4RMC5RMC3R
SCHEMBL13014734 0.93 ITGB3 (0.59) ITGB3ITGAVMC4RMC5RMC3R
SCHEMBL14090938 0.93 ITGB3 (0.64) ITGB3ITGAVMC4RMC5RMC3R
SCHEMBL12947539 0.91 ITGB3 (0.56) ITGB3ITGAVMC4RMC5RMC3R
SCHEMBL9909402 0.91 ITGB3 (0.56) ITGB3ITGAVMC4RMC5RMC3R
SCHEMBL15335356 0.91 ITGB3 (0.53) ITGB3ITGAVMC4RMC5RMC3R
SCHEMBL14845480 0.91 ITGB3 (0.52) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8415510-B2 Synthesis of a PEG-6 moiety from commercial low-cost chemicals GE HEALTHCARE LIMITED (GB) 2013-04-09 — — US disclosed
US-20100324264-A1 SYNTHESIS OF A PEG-6 MOIETY FROM COMMERCIAL LOW-COST CHEMICALS GE HEALTHCARE LIMITED (GB) 2010-12-23 — — 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-20100324264-A1 SYNTHESIS OF A PEG-6 MOIETY FROM COMMERCIAL LOW-COST CHEMICALS GAS6, LNPEP, BMP6 ITGB3 3073/4885ITGAV 2257/4885MC4R 1735/4885

“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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