SCHEMBL4671134

SCHEMBL4671134

CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](C=O)CC=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 2/20 0.49
▸ MAGI3 Q5TCQ9 1/20 0.47
▸ CASP1 P29466 1/20 0.45
▸ CASP3 P42574 1/20 0.45
▸ CASP4 P49662 1/20 0.45
▸ CASP5 P51878 1/20 0.45
▸ CASP7 P55210 1/20 0.45
▸ CASP9 P55211 1/20 0.45
▸ CASP6 P55212 1/20 0.45
▸ CASP8 Q14790 1/20 0.45
▸ CASP10 Q92851 1/20 0.45
▸ GRPR P30550 3/20 0.43
▸ KMT2A Q03164 1/20 0.42
▸ MMP2 P08253 1/20 0.42
▸ MMP9 P14780 1/20 0.42
▸ MMP8 P22894 1/20 0.42
▸ MMP14 P50281 1/20 0.42
▸ GHSR Q92847 2/20 0.42
▸ OPRM1 P35372 1/20 0.42
▸ ECE1 P42892 1/20 0.41

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
SCHEMBL1548820 0.87 CTSL (0.49) CTSLMAGI3CASP1CASP3CASP4
SCHEMBL21481062 0.87 CTSL (0.49) CTSLMAGI3CASP1CASP3CASP4
SCHEMBL18328829 0.87 CTSL (0.49) CTSLMAGI3CASP1CASP3CASP4
SCHEMBL31682275 0.85 MAGI3 (0.64) MAGI3CASP1CASP3CASP4CASP5
SCHEMBL30254250 0.81 ACE (0.50) MAGI3GHSRECE1
SCHEMBL30506405 0.80 GHSR (0.54) GRPRGHSR
SCHEMBL30799702 0.80 GHSR (0.54) GHSRECE1
SCHEMBL31171022 0.79 KMT2A (0.51) KMT2AGHSROPRM1
SCHEMBL30311059 0.78 ACE (0.64) MAGI3ECE1
SCHEMBL24301258 0.77 TACR1 (0.46) KMT2AMMP2MMP9MMP8

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-20080213172-A1 RADIOIMAGING MOIETIES COUPLED TO PEPTIDEASE-BINDING MOIETIES FOR IMAGING TISSUES AND ORGANS THAT EXPRESS PEPTIDASES MOLECULAR INSIGHT PHARMACEUTICALS, INC. 2008-09-04 — — 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-20080213172-A1 RADIOIMAGING MOIETIES COUPLED TO PEPTIDEASE-BINDING MOIETIES FOR IMAGING TISSUES AND ORGANS THAT EXPRESS PEPTIDASES LAP3, DNPEP, ACE CTSL 4/4885MAGI3 1228/4885CASP1 1869/4885

“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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