SCHEMBL7051228

SCHEMBL7051228

CCCC(C(=O)O)C(O)[PH](=O)CSc1ccc2ccccc2c1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.45
PPARA Q07869 2/20 0.45
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
ANPEP P15144 1/20 0.39
PLA2G2A P14555 2/20 0.38
PLA2G10 O15496 2/20 0.38
CAPN1 P07384 1/20 0.38
CTSB P07858 1/20 0.38
CNR2 P34972 2/20 0.37
EPHX1 P07099 1/20 0.36
BACE1 P56817 5/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.34
STAT3 P40763 1/20 0.34

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
SCHEMBL7051226 0.87 FFAR1 (0.37) PPARGPPARASLC6A2SLC6A3ALDH1A1
SCHEMBL7049818 0.81 PRNP (0.48) ALDH1A1LMNA
SCHEMBL7050264 0.80 KMT2A (0.36) PPARGPPARAEPHX1ALDH1A1LMNA
SCHEMBL7050341 0.77 CYP3A4 (0.39) PPARGPPARACYP3A4CYP2C9CYP2C19
SCHEMBL7441938 0.69 ANPEP (0.39) CYP3A4CYP2C9CYP2C19ANPEPPLA2G10
SCHEMBL5950452 0.68 BACE1 (0.52) PPARGPPARACYP3A4CYP2C9CYP2C19
SCHEMBL5950448 0.68 BACE1 (0.52) PPARGPPARACYP3A4CYP2C9CYP2C19
SCHEMBL5950881 0.68 BACE1 (0.52) PPARGPPARACYP3A4CYP2C9CYP2C19
SCHEMBL7051220 0.67 PPARG (0.45) PPARGPPARACYP3A4CYP2C9CYP2C19
SCHEMBL7051221 0.66 PPARG (0.44) PPARGPPARACYP3A4CYP2C9CYP2C19

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 PPARG 3903/4885PPARA 4492/4885CYP3A4 1675/4885

“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.