SCHEMBL7052394

SCHEMBL7052394

CCOC(=O)C(CCc1ccccc1)CP(=O)(COS(=O)(=O)c1ccc(C)cc1)OCC

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
PLAU P00749 1/20 0.36
HPN P05981 1/20 0.36
ANPEP P15144 1/20 0.36
LMNA P02545 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MMP1 P03956 2/20 0.35
MMP13 P45452 2/20 0.35
FKBP1A P62942 2/20 0.35
ACE P12821 1/20 0.35
PTGS2 P35354 1/20 0.35

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
SCHEMBL7051776 0.94 FKBP1A (0.40) ALDH1A1POLBLMNAMMP1FKBP1A
SCHEMBL7050902 0.91 PPARG (0.42) POLBLMNAHSD17B10PTGS2
SCHEMBL7050321 0.88 CA2 (0.39) ALDH1A1POLBSMN1; SMN2LMNAHSD17B10
SCHEMBL7053987 0.87 SMN1; SMN2 (0.40) ALDH1A1POLBSMN1; SMN2ANPEPLMNA
SCHEMBL7052659 0.83 HSD17B10 (0.41) ALDH1A1SMN1; SMN2LMNAHSD17B10PTGS2
SCHEMBL7050149 0.81 HSD17B10 (0.37) POLBSMN1; SMN2HSD17B10MMP1
SCHEMBL7049806 0.80 SMN1; SMN2 (0.44) POLBSMN1; SMN2ANPEPHSD17B10
SCHEMBL7048015 0.78 ALDH1A1 (0.38) ALDH1A1POLBPLAUHPNLMNA
SCHEMBL7050928 0.77 EPHX2 (0.46) ALDH1A1POLBLMNAHSD17B10
SCHEMBL9067917 0.77 ALDH1A1 (0.41) ALDH1A1POLBSMN1; SMN2PLAUHPN

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 ALDH1A1 465/4885POLB 1268/4885SMN1; SMN2 305/4885

“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.