SCHEMBL7049812

SCHEMBL7049812

O=C(O)C(CCc1ccccc1)CP(=O)(O)CSc1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ERAP1 Q9NZ08 6/20 0.49
ERAP2 Q6P179 5/20 0.49
ANPEP P15144 5/20 0.49
LAP3 P28838 4/20 0.49
CPA1 P15085 3/20 0.47
CPA2 P48052 3/20 0.47
CPA4 Q9UI42 3/20 0.47
ENPEP Q07075 1/20 0.44
MMP1 P03956 1/20 0.44
MMP3 P08254 1/20 0.44
MMP13 P45452 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
SCHEMBL7051413 0.92 GRIK1 (0.49) ERAP1ERAP2ANPEPLAP3MMP1
SCHEMBL7049618 0.88 ERAP1 (0.44) ERAP1ERAP2ANPEPLAP3CPA1
SCHEMBL7050270 0.86 ERAP2 (0.53) ERAP1ERAP2ANPEPLAP3CPA1
SCHEMBL7051219 0.85 FOLH1 (0.41) MMP1
SCHEMBL7047064 0.82 ERAP1 (0.43) ERAP1ERAP2ANPEPLAP3CPA1
SCHEMBL5134279 0.81 MMP13 (0.60) ERAP1ERAP2ANPEPLAP3MMP1
SCHEMBL7047091 0.81 SIRT5 (0.44) ERAP1ERAP2ANPEPLAP3
SCHEMBL7048091 0.80 RXFP1 (0.47) ERAP1ERAP2ANPEPLAP3CPA1
SCHEMBL7050048 0.80 ANPEP (0.46) ERAP1ERAP2ANPEPLAP3CPA1
SCHEMBL5051239 0.79 ERAP1 (0.58) ERAP1ERAP2ANPEPLAP3

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 6 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
EP-0726903-B1 MATRIX METALLOPROTEASE INHIBITORS SYNTEX INC (US) 1997-07-16 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 ERAP1 74/4885ERAP2 192/4885ANPEP 154/4885

“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.