SCHEMBL6159824

SCHEMBL6159824

N[C@@H](CSCCCc1ccccc1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 2/20 0.55
KIF11 P52732 6/20 0.54
ALPI P09923 1/20 0.51
PKM P14618 1/20 0.51
PTGS1 P23219 1/20 0.51
XIAP P98170 1/20 0.51
SLC7A5 Q01650 1/20 0.51
CA2 P00918 1/20 0.51
NOS2 P35228 1/20 0.48
ARG1 P05089 1/20 0.47
ARG2 P78540 1/20 0.47
NOS1 P29475 1/20 0.46
SLC1A3 P43003 1/20 0.45
SLC1A2 P43004 1/20 0.45
SLC1A1 P43005 1/20 0.45
HDAC3 O15379 1/20 0.44
MAPK1 P28482 1/20 0.44
ADRA1A P35348 1/20 0.44
HDAC4 P56524 1/20 0.44
SLC6A3 Q01959 1/20 0.44

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
SCHEMBL7320616 0.92 KIF11 (0.57) GRIK1KIF11ALPIPKMPTGS1
SCHEMBL10345736 0.92 KIF11 (0.57) GRIK1KIF11ALPIPKMPTGS1
SCHEMBL10345735 0.92 KIF11 (0.57) GRIK1KIF11ALPIPKMPTGS1
SCHEMBL7304875 0.84 KIF11 (0.47) GRIK1KIF11CA2NOS1
Hydrochloric Acid SCHEMBL7304869 0.83 KIF11 (0.46) GRIK1KIF11CA2
Hydrochloric Acid SCHEMBL5921746 0.82 HTT (0.43) GRIK1KIF11NOS2ARG1ARG2
SCHEMBL23131390 0.80 SLC7A5 (0.49) KIF11PTGS1SLC7A5NOS2ARG1
Benzylcysteine SCHEMBL515922 0.80 ALPI (0.58) GRIK1KIF11ALPIPKMPTGS1
Benzylcysteine SCHEMBL1109643 0.80 ALPI (0.58) GRIK1KIF11ALPIPKMPTGS1
Benzylcysteine SCHEMBL1927561 0.80 ALPI (0.58) GRIK1KIF11ALPIPKMPTGS1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1504094-A2 PEPTIDE COMPOUNDS AND THEIR USE AS PROTEASE SUBSTRATES Pharmacia Corporation (US) 2005-02-09 EP claimed
US-20040018561-A1 Peptide compounds and their use as protease substrates PHARMACIA CORPORATION 2004-01-29 US claimed
WO-2003095475-A2 PEPTIDE COMPOUNDS AND THEIR USE AS PROTEASE SUBSTRATES PHARMACIA CORPORATION (US) 2003-11-20 WO claimed
EP-1504094-A2 PEPTIDE COMPOUNDS AND THEIR USE AS PROTEASE SUBSTRATES Pharmacia Corporation (US) 2005-02-09 EP disclosed
US-20040018561-A1 Peptide compounds and their use as protease substrates PHARMACIA CORPORATION 2004-01-29 US disclosed
WO-2003095475-A2 PEPTIDE COMPOUNDS AND THEIR USE AS PROTEASE SUBSTRATES PHARMACIA CORPORATION (US) 2003-11-20 WO disclosed
US-6018020-A VIRICIDES WHICH ARE PROTEASE INHIBITORS AGAINST HEPATITIS C AND HEPATITIS G HOFFMAN-LA ROCHE INC. (US) 2000-01-25 US disclosed
EP-0941233-A2 ANTIVIRAL PEPTIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1999-09-15 EP disclosed
US-5866684-A Peptidyl inhibitors of viral proteases HOFFMANN-LA ROCHE INC. (US) 1999-02-02 US disclosed
WO-1998022496-A2 ANTIVIRAL PEPTIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1998-05-28 WO disclosed
EP-0520336-A2 Aldehyde derivatives and their use as calpain inhibitors FUJIREBIO Inc. (JP) 1992-12-30 EP 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-20040018561-A1 Peptide compounds and their use as protease substrates MMP3, MMP25, MMP11 GRIK1 2329/4885KIF11 3124/4885ALPI 898/4885

“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.