SCHEMBL16300490

SCHEMBL16300490

CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)CCCCNC(=O)C(N)CN)C(C)C)C(N)=O

nearest known ligand 0.76

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ GRPR P30550 14/20 0.72
▸ ITGB3 P05106 1/20 0.60
▸ ITGAV P06756 1/20 0.60

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
SCHEMBL14864723 0.94 GRPR (0.72) GRPRITGB3ITGAV
SCHEMBL4344249 0.92 GRPR (0.69) GRPR
SCHEMBL14412222 0.92 GRPR (0.85) GRPR
SCHEMBL13906646 0.92 GRPR (0.85) GRPR
SCHEMBL5350846 0.91 GRPR (0.66) GRPR
SCHEMBL1413932 0.91 GRPR (0.68) GRPR
SCHEMBL1413933 0.91 GRPR (0.68) GRPR
SCHEMBL4352525 0.91 GRPR (0.67) GRPR
SCHEMBL4352522 0.91 GRPR (0.67) GRPR
SCHEMBL28758393 0.89 GRPR (0.67) GRPR

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-20120178906-A1 CHELATION OF METALS TO THIOL GROUPS USING IN SITU REDUCTION OF DISULFIDE-CONTAINING COMPOUNDS BY PHOSPHINES BRACCO IMAGING S.P.A. (IT) 2012-07-12 — — 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-20120178906-A1 CHELATION OF METALS TO THIOL GROUPS USING IN SITU REDUCTION OF DISULFIDE-CONTAINING COMPOUNDS BY PHOSPHINES TST, PTMS, MPST GRPR 577/4885ITGB3 3078/4885ITGAV 2960/4885

“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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