SCHEMBL7051413

SCHEMBL7051413

O=C(O)C(CCCc1ccccc1)CP(=O)(O)CSc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 1/20 0.49
LAP3 P28838 3/20 0.44
ERAP2 Q6P179 2/20 0.44
ERAP1 Q9NZ08 2/20 0.44
ANPEP P15144 1/20 0.44
MMP1 P03956 1/20 0.42
MMP2 P08253 1/20 0.42
MMP3 P08254 1/20 0.42
MMP9 P14780 1/20 0.42
MMP8 P22894 1/20 0.42
FOLH1 Q04609 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
SCHEMBL7049812 0.92 ERAP1 (0.49) LAP3ERAP2ERAP1ANPEPMMP1
SCHEMBL7047091 0.88 SIRT5 (0.44) GRIK1LAP3ERAP2ERAP1ANPEP
SCHEMBL7050270 0.84 ERAP2 (0.53) LAP3ERAP2ERAP1ANPEPFOLH1
SCHEMBL7051219 0.83 FOLH1 (0.41) MMP1FOLH1
SCHEMBL7052118 0.83 GRIK1 (0.43) GRIK1LAP3ERAP2ERAP1ANPEP
SCHEMBL7050067 0.81 RXFP1 (0.45) GRIK1MMP1MMP2MMP3MMP9
SCHEMBL7049618 0.81 ERAP1 (0.44) LAP3ERAP2ERAP1ANPEP
SCHEMBL5051179 0.81 GRIK1 (0.59) GRIK1LAP3ERAP2ERAP1ANPEP
SCHEMBL7080529 0.79 GRIK1 (0.57) GRIK1MMP1MMP2MMP3MMP9
SCHEMBL7050048 0.77 ANPEP (0.46) LAP3ERAP2ERAP1ANPEPMMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030212067-A1 Matrix metalloprotease inhibitors CASTELHANO ARLINDO LUCAS (US) 2003-11-13 US disclosed
US-6579890-B1 Matrix metalloprotease inhibitors SYNTEX (U.S.A.) INC. 2003-06-17 US disclosed
US-6037472-A FOR TREATING DISEASE-STATES CHARACTERIZED BY EXCESSIVE ACTIVITY OF MATRIX METALLOPROTEASES SUCH AS RHEUMATOID ARTHRITIS, OSTEOARTHRITIS, PERIODONTAL DISEASE, ABERRANT ANGIOGENESIS, TUMOR INVASION AND METASTASIS SYNTEX (U.S.A.) INC. (US) 2000-03-14 US disclosed
EP-0793643-A1 MATRIX METALLOPROTEASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1997-09-10 EP disclosed
WO-1996016027-A1 MATRIX METALLOPROTEASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1996-05-30 WO 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-20030212067-A1 Matrix metalloprotease inhibitors MMP7, MMP1, MMP3 GRIK1 2088/4885LAP3 595/4885ERAP2 192/4885

“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.