SCHEMBL13062248

SCHEMBL13062248

COCCNC(=O)[C@@H]1CSCCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TSLP Q969D9 11/20 0.49
▸ MC4R P32245 4/20 0.49
▸ MC5R P33032 4/20 0.49
▸ MC3R P41968 4/20 0.49
▸ MC1R Q01726 4/20 0.49
▸ CTSG P08311 1/20 0.48
▸ ITGB3 P05106 1/20 0.48
▸ ITGB1 P05556 1/20 0.48
▸ ITGAV P06756 1/20 0.48
▸ ITGA5 P08648 1/20 0.48
▸ ITGB5 P18084 1/20 0.48
▸ KLKB1 P03952 1/20 0.47
▸ PLAU P00749 1/20 0.46
▸ CACNA1B Q00975 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
SCHEMBL14845481 0.94 CTSG (0.51) TSLPMC4RMC5RMC3RMC1R
SCHEMBL12647201 0.93 MC4R (0.49) TSLPMC4RMC5RMC3RMC1R
SCHEMBL15335358 0.91 CTSG (0.50) MC4RMC5RMC3RMC1RCTSG
SCHEMBL13656508 0.88 MC4R (0.51) TSLPMC4RMC5RMC3RMC1R
SCHEMBL16349774 0.88 MC4R (0.51) TSLPMC4RMC5RMC3RMC1R
SCHEMBL13014693 0.88 CTSG (0.55) TSLPMC4RMC5RMC3RMC1R
SCHEMBL14962605 0.88 MC4R (0.54) TSLPMC4RMC5RMC3RMC1R
SCHEMBL14137295 0.87 CTSG (0.54) TSLPMC4RMC5RMC3RMC1R
SCHEMBL12361592 0.85 MC4R (0.51) MC4RMC5RMC3RMC1RCTSG
SCHEMBL13062600 0.85 ITGB3 (0.49) TSLPMC4RMC5RMC3RMC1R

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-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 TSLP 1212/4885MC4R 1735/4885MC5R 3546/4885

“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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