SCHEMBL6238729

SCHEMBL6238729

CC(C)c1nc(-c2ccccc2)nc(-c2ccc(F)cc2)c1/C=C/[C@@H](O)C[C@@H](O)CC(=O)O

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 8/20 0.69
ALDH1A1 P00352 1/20 0.69
CYP3A4 P08684 1/20 0.69
PDE6D O43924 1/20 0.69
NR1I2 O75469 1/20 0.69
PDE4D Q08499 1/20 0.69
ESR1 P03372 1/20 0.61
CHRM1 P11229 1/20 0.61
TBXA2R P21731 1/20 0.61
PDE4A P27815 1/20 0.61
ADRA1A P35348 1/20 0.61
ABCC3 O15438 1/20 0.58
ABCC4 O15439 1/20 0.58
HDAC1 Q13547 1/20 0.57
HDAC2 Q92769 1/20 0.57
HDAC6 Q9UBN7 1/20 0.57

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
SCHEMBL10462679 1.00 HMGCR (0.69) HMGCRALDH1A1CYP3A4PDE6DNR1I2
SCHEMBL10474688 1.00 HMGCR (0.69) HMGCRALDH1A1CYP3A4PDE6DNR1I2
SCHEMBL6238734 1.00 HMGCR (0.69) HMGCRALDH1A1CYP3A4PDE6DNR1I2
SCHEMBL27635700 1.00 HMGCR (0.69) HMGCRALDH1A1CYP3A4PDE6DNR1I2
SCHEMBL28743176 0.99 HMGCR (0.68) HMGCRALDH1A1CYP3A4PDE6DNR1I2
SCHEMBL9788400 0.94 HMGCR (0.60) HMGCRALDH1A1CYP3A4PDE6DNR1I2
SCHEMBL10475645 0.94 HMGCR (0.68) HMGCRALDH1A1CYP3A4PDE6DNR1I2
SCHEMBL9788386 0.91 HMGCR (0.58) HMGCRALDH1A1CYP3A4PDE6DNR1I2
SCHEMBL10475392 0.91 HMGCR (0.65) HMGCRALDH1A1CYP3A4PDE6DNR1I2
SCHEMBL10474681 0.91 HMGCR (0.57) HMGCRALDH1A1CYP3A4PDE6DNR1I2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050239884-A1 Compositions comprising hmg-coa reductase inhibitor MEYER ANDREAS 2005-10-27 US disclosed
EP-1536775-A1 COMPOSITIONS COMPRISING HMG-COA REDUCTASE INHIBITOR Novartis AG (CH) 2005-06-08 EP disclosed
WO-2004010980-A1 COMPOSITIONS COMPRISING HMG-COA REDUCTASE INHIBITOR NOVARTIS AG (CH) 2004-02-05 WO disclosed
US-20030203964-A1 Process for producing medicaments which comprise HMG CoA reductase inhibitors SCHUCKLER FRITZ (DE) 2003-10-30 US disclosed
EP-0991616-B1 METHOD FOR PRODUCING MEDICAMENTS CONTAINING HMG-CoA-REDUCTASE INHIBITORS BAYER AG (DE) 2003-05-21 EP disclosed
US-20020146454-A1 METHOD FOR PRODUCING MEDICAMENTS CONTAINING HMG-COA-REDUCTASE INHIBITORS BAYER AKTIENGESELLSCHAFT (DE) 2002-10-10 US disclosed
EP-0547000-B1 Stabilized pharmaceutical compositions comprising an HMG-CoA reductase inhibitor compound NOVARTIS AG (CH) 2000-02-02 EP disclosed
US-5356896-A Alkaline stabiling medium SANDOZ LTD. (CH) 1994-10-18 US disclosed
EP-0547000-A1 Stabilized pharmaceutical compositions comprising an HMG-CoA reductase inhibitor compound SANDOZ LTD. (CH) 1993-06-16 EP 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 (2 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-20030203964-A1 Process for producing medicaments which comprise HMG CoA reductase inhibitors HMGCR, CYP11A1, CYP46A1 HMGCR 1/4885ALDH1A1 724/4885CYP3A4 170/4885
US-20020146454-A1 METHOD FOR PRODUCING MEDICAMENTS CONTAINING HMG-COA-REDUCTASE INHIBITORS HMGCR, CYP11A1, HMGB3 HMGCR 1/4885ALDH1A1 626/4885CYP3A4 181/4885

“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.