SCHEMBL4730997

SCHEMBL4730997

CC(C)c1c(C(=O)NCc2ccccc2)nc(-c2ccc(F)cc2)n1CCC(O)CC(O)CC(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 9/20 1.00
NR1I2 O75469 1/20 0.56
ABCB11 O95342 1/20 0.56
RHOC P08134 1/20 0.56
CYP3A4 P08684 1/20 0.56
THRB P10828 1/20 0.56
HDAC1 Q13547 1/20 0.56
HDAC2 Q92769 1/20 0.56
NR1H4 Q96RI1 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
ABCG2 Q9UNQ0 1/20 0.56
SLCO1B1 Q9Y6L6 1/20 0.56

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
SCHEMBL1600617 1.00 HMGCR (1.00) HMGCRNR1I2ABCB11RHOCCYP3A4
SCHEMBL5329246 0.99 HMGCR (0.98) HMGCRNR1I2ABCB11RHOCCYP3A4
SCHEMBL6362203 0.97 HMGCR (1.00) HMGCRNR1I2ABCB11RHOCCYP3A4
SCHEMBL5996701 0.96 HMGCR (0.93) HMGCR
SCHEMBL5224248 0.94 HMGCR (0.88) HMGCRNR1I2ABCB11RHOCCYP3A4
SCHEMBL5223752 0.94 HMGCR (0.88) HMGCRNR1I2ABCB11RHOCCYP3A4
SCHEMBL5329253 0.93 HMGCR (0.87) HMGCR
SCHEMBL5991667 0.93 HMGCR (0.87) HMGCR
SCHEMBL6418791 0.93 HMGCR (0.87) HMGCR
SCHEMBL5994456 0.92 HMGCR (0.85) HMGCRNR1I2ABCB11RHOCCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008059372-A2 CRYSTAL FORM OF (3R,5R)-7-[2-(4-FLUORO-PHENYL)-4-ISOPROPYL-5-(4-METYL-BENZYLCARBAMOYL)-2H-PYRAZOL-3-YL]-3,5-DIHYDROXY-HEPTANOIC ACID SODIUM SALT PFIZER PRODUCTS INC. (US) 2008-05-22 WO disclosed
WO-2007049121-A1 CRYSTAL FORM OF SODIUM; (3R,5R)-7-[4-BENZYLCARBAMOYL-2-(4-FLUOROPHENYL)-5-ISOPROPYL-IMIDAZOL-1-YL]-3,5-DIHYDROXY-HEPTANOATE PFIZER PRODUCTS INC. (US) 2007-05-03 WO disclosed
US-20060287378-A1 Novel pyrroles and imidazoles WARNER-LAMBERT COMPANY LLC 2006-12-21 US 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-20060287378-A1 Novel pyrroles and imidazoles PPIP5K2, PPIE, PPOX HMGCR 3534/4885NR1I2 3443/4885ABCB11 3458/4885

“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.