SCHEMBL2856641

SCHEMBL2856641

CC(C)C(=O)/C(=C/c1ccccc1)C(=O)O

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.56
TP53 P04637 1/20 0.53
AKR1C3 P42330 3/20 0.52
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
AKR1C1 Q04828 2/20 0.46
ALDH1A1 P00352 1/20 0.42
TSHR P16473 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
RECQL P46063 1/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MTNR1A P48039 2/20 0.40
MTNR1B P49286 2/20 0.40
AKR1C2 P52895 1/20 0.40
FBP1 P09467 1/20 0.39

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
SCHEMBL2856643 1.00 HTT (0.56) HTTTP53AKR1C3MEN1KMT2A
SCHEMBL13765413 0.87 ALDH1A1 (0.50) HTTTP53AKR1C3MEN1KMT2A
SCHEMBL1898750 0.85 MCL1 (0.46) HTTTP53AKR1C3MEN1KMT2A
SCHEMBL10570280 0.84 MEN1 (0.49) HTTTP53AKR1C3MEN1KMT2A
SCHEMBL5466716 0.84 TP53 (0.41) HTTTP53AKR1C3ALDH1A1CYP3A4
SCHEMBL2647715 0.84 MEN1 (0.49) HTTTP53AKR1C3MEN1KMT2A
SCHEMBL5466722 0.84 TP53 (0.41) HTTTP53AKR1C3ALDH1A1CYP3A4
SCHEMBL2647713 0.84 MEN1 (0.49) HTTTP53AKR1C3MEN1KMT2A
SCHEMBL915484 0.82 MEN1 (0.51) HTTMEN1KMT2AMAPT
SCHEMBL915483 0.82 MEN1 (0.51) HTTMEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1948598-B1 PROCESS FOR PREPARATION OF (3R, 5R)-7-[2-(4-FLUOROPHENYL)-5-ISOPROPYL-3-PHENYL-4-[(4-HYDROXY METHYL PHENYL AMINO) CARBONYL]-PYRROL-1-YL]-3,5-DIHYDROXY-HEPTANOIC ACID HEMI CALCIUM SALT RANBAXY LAB LTD (IN) 2013-01-09 EP disclosed
US-20100056602-A1 Substituted Pyrrole Derivatives And Their Use As HMG-CO Inhibitors RANBAXY LABORATORIES LIMITED (IN) 2010-03-04 US disclosed
US-7671216-B2 Process for preparation of (3R,5R)-7-[2-(4-fluorophenyl)-5-isopropyl-3-phenyl-4-[(4-hydroxy methyl phenyl amino) carbonyl]-pyrrol-1-yl]-3,5-dihydroxy-heptanoic acid hemi calcium salt RANBAXY LABORATORIES LIMITED (IN) 2010-03-02 US disclosed
US-20090118520-A1 PROCESS FOR PREPARATION OF (3R, 5R)-7-[2-(4-FLUOROPHENYL)-5-ISOPROPYL-3-PHENYL-4-[(4-HYDROXY METHYL PHENYL AMINO) CARBONYL]-PYRROL-1-YL]-3,5-DIHYDROXY-HEPTANOIC ACID HEMI CALCIUM SALT RANBAXY LABORATORIES LIMITED (IN) 2009-05-07 US disclosed
EP-1948598-A1 PROCESS FOR PREPARATION OF (3R, 5R)-7-[2-(4-FLUOROPHENYL)-5-ISOPROPYL-3-PHENYL-4-[(4-HYDROXY METHYL PHENYL AMINO) CARBONYL]-PYRROL-1-YL]-3,5-DIHYDROXY-HEPTANOIC ACID HEMI CALCIUM SALT RANBAXY LABORATORIES, LTD. (IN) 2008-07-30 EP disclosed
US-20070149605-A1 Substituted pyrrole derivatives as hmg-coa reductase inhibitors RANBAXY LABORATORIES LIMITED (IN) 2007-06-28 US disclosed
WO-2007054790-A1 PROCESS FOR PREPARATION OF (3R, 5R)-7-[2-(4-FLUOROPHENYL)-5-ISOPROPYL-3-PHENYL-4-[(4-HYDROXY METHYL PHENYL AMINO) CARBONYL]-PYRROL-1-YL]-3,5-DIHYDROXY-HEPTANOIC ACID HEMI CALCIUM SALT RANBAXY LABORATORIES LIMITED (IN) 2007-05-18 WO disclosed
WO-2006110918-A1 PYRROLE COMPOUNDS AND USES THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2006-10-19 WO disclosed
EP-1658283-A2 SUBSTITUTED PYRROLE DERIVATIVES AND THEIR USE AS HMG-CO INHIBITORS RANBAXY LABORATORIES, LTD. (IN) 2006-05-24 EP disclosed
EP-1643988-A1 SUBSTITUTED PYRROLE DERIVATIVES AS HMG-COA REDUCTASE INHIBITORS RANBAXY LABORATORIES, LTD. (IN) 2006-04-12 EP disclosed
WO-2004106299-A2 SUBSTITUTED PYRROLE DERIVATIVES AND THEIR USE AS HMG-CO INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2004-12-09 WO disclosed
WO-2004105752-A1 SUBSTITUTED PYRROLE DERIVATIVES AS HMG-COA REDUCTASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2004-12-09 WO disclosed
US-20040102511-A1 Substituted pyrrole derivatives RANBAXY LABORATORIES LIMITED (IN) 2004-05-27 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 (4 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-20100056602-A1 Substituted Pyrrole Derivatives And Their Use As HMG-CO Inhibitors HMGCR, HMGB2, HMGB3 HTT 1382/4885TP53 4474/4885AKR1C3 239/4885
US-20070149605-A1 Substituted pyrrole derivatives as hmg-coa reductase inhibitors HMGCR, CYP46A1, GRHPR HTT 1966/4885TP53 3965/4885AKR1C3 42/4885
US-20040102511-A1 Substituted pyrrole derivatives HMGCR, PC, CYP46A1 HTT 1238/4885TP53 4461/4885AKR1C3 207/4885
US-20090118520-A1 PROCESS FOR PREPARATION OF (3R, 5R)-7-[2-(4-FLUOROPHENYL)-5-ISOPROPYL-3-PHENYL-4-[(4-HYDROXY METHYL PHENYL AMINO) CARBONYL]-PYRROL-1-YL]-3,5-DIHYDROXY-HEPTANOIC ACID HEMI CALCIUM SALT HPD, HCAR3, ORAI1 HTT 344/4885TP53 4137/4885AKR1C3 508/4885

“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.