SCHEMBL13021030

SCHEMBL13021030

CC(C)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C1CCC(CNC(=O)c2cc(O)c(O)c(O)c2)CC1)C(C)C)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ GHSR Q92847 2/20 0.49
▸ CASP1 P29466 1/20 0.46
▸ CASP3 P42574 1/20 0.46
▸ CASP7 P55210 1/20 0.46
▸ EDNRA P25101 1/20 0.46
▸ GRPR P30550 7/20 0.44
▸ KISS1R Q969F8 1/20 0.43
▸ MAGI3 Q5TCQ9 1/20 0.43
▸ NMBR P28336 1/20 0.43
▸ MMP2 P08253 2/20 0.42
▸ MMP9 P14780 1/20 0.42
▸ MMP8 P22894 1/20 0.42
▸ MMP1 P03956 1/20 0.42

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
SCHEMBL13912385 1.00 GHSR (0.49) GHSRCASP1CASP3CASP7EDNRA
SCHEMBL13020893 0.86 CASP1 (0.54) CASP1CASP3CASP7EDNRAMAGI3
SCHEMBL14417484 0.86 CASP1 (0.54) CASP1CASP3CASP7EDNRAMAGI3
SCHEMBL13020158 0.86 CASP1 (0.51) CASP1CASP3CASP7EDNRAMAGI3
SCHEMBL13020664 0.84 MMP1 (0.52) CASP1CASP3CASP7EDNRAMAGI3
SCHEMBL13020765 0.83 TACR1 (0.53) CASP1CASP3CASP7EDNRAMMP2
SCHEMBL13021048 0.82 MMP1 (0.54) CASP1CASP3CASP7EDNRAMMP2
SCHEMBL13020161 0.81 DPP3 (0.52) CASP1CASP3CASP7
SCHEMBL13912384 0.81 HDAC8 (0.53) CASP1CASP3CASP7EDNRAMMP2
SCHEMBL31171653 0.77 CASP1 (0.58) GHSRCASP1CASP3CASP7EDNRA

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-20100323969-A1 Compounds Binding to P-Selectin ASTELLAS PHARMA EUROPE B.V. (NL) 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-20100323969-A1 Compounds Binding to P-Selectin SELP, SELPLG, SELL GHSR 1935/4885CASP1 1958/4885CASP3 1690/4885

“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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