SCHEMBL13351721

SCHEMBL13351721

CNC(C)C(=O)NC1CSSCC(C(=O)NCC(=O)O)NC(=O)C(Cc2ccccc2)NC(=O)C2CSSCC(NC(=O)C(CC(=O)O)NC1=O)C(=O)NC(CCCNC(=N)N)C(=O)NCC(=O)NC(CC(=O)O)C(=O)N2

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CTSG P08311 3/20 0.62
▸ PLAU P00749 3/20 0.62
▸ KLKB1 P03952 3/20 0.54
▸ TSLP Q969D9 6/20 0.53
▸ ALB P02768 1/20 0.51
▸ MC4R P32245 3/20 0.50
▸ MC5R P33032 3/20 0.50
▸ MC3R P41968 3/20 0.50
▸ MC1R Q01726 3/20 0.50
▸ CACNA1B Q00975 1/20 0.50

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
SCHEMBL13319649 0.94 CTSG (0.69) CTSGPLAUKLKB1TSLP
SCHEMBL14029285 0.86 PLAU (0.57) CTSGPLAUKLKB1TSLPALB
SCHEMBL14096800 0.84 CTSG (0.65) CTSGPLAUKLKB1ALBMC4R
SCHEMBL12146083 0.84 TSLP (0.56) CTSGPLAUTSLPMC4RMC5R
SCHEMBL14096793 0.84 CTSG (0.65) CTSGPLAUKLKB1ALBMC4R
SCHEMBL13659870 0.83 CTSG (0.59) CTSGPLAUKLKB1TSLPMC4R
SCHEMBL14096946 0.82 MC4R (0.59) CTSGPLAUKLKB1TSLPMC4R
SCHEMBL14096826 0.82 CTSG (0.59) CTSGPLAUKLKB1TSLPMC4R
SCHEMBL13881404 0.81 MC4R (0.51) CTSGPLAUTSLPMC4RMC5R
SCHEMBL13038608 0.81 MC4R (0.51) CTSGPLAUTSLPMC4RMC5R

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-20100137206-A1 NOVEL LIGAND GUIDED BLOCK COPOLYMERS FOR TARGETED DRUG DELIVERY THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) 2010-06-03 — — 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-20100137206-A1 NOVEL LIGAND GUIDED BLOCK COPOLYMERS FOR TARGETED DRUG DELIVERY EBPL, EDNRB, BMPR1B CTSG 2061/4885PLAU 377/4885KLKB1 506/4885

“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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