SCHEMBL5535535

SCHEMBL5535535

CC(C)c1nc2ccccc2c(-c2ccc(F)cc2)c1/C=C/[C@@H](O)C[C@@H](O)CC(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 3/20 0.71
NR4A2 P43354 2/20 0.71
NR1I2 O75469 2/20 0.71
HMGCR P04035 8/20 0.69
TBXA2R P21731 2/20 0.69
ADRA1A P35348 2/20 0.69
ESR1 P03372 1/20 0.69
CHRM1 P11229 1/20 0.69
PDE4A P27815 1/20 0.69
RXRA P19793 2/20 0.61
CYP2C9 P11712 3/20 0.60
SIRT6 Q8N6T7 2/20 0.60
ABCC3 O15438 1/20 0.60
ABCB11 O95342 1/20 0.60
PGR P06401 1/20 0.60
ADORA3 P0DMS8 1/20 0.60
CCKAR P32238 1/20 0.60
PTGS2 P35354 1/20 0.60
SLC10A1 Q14973 1/20 0.60
ALDH1A1 P00352 1/20 0.59

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
SCHEMBL5500466 1.00 PDE4D (0.71) PDE4DNR4A2NR1I2HMGCRTBXA2R
SCHEMBL27616710 1.00 PDE4D (0.71) PDE4DNR4A2NR1I2HMGCRTBXA2R
SCHEMBL5500469 1.00 PDE4D (0.71) PDE4DNR4A2NR1I2HMGCRTBXA2R
SCHEMBL6242551 1.00 PDE4D (0.71) PDE4DNR4A2NR1I2HMGCRTBXA2R
SCHEMBL10660040 1.00 PDE4D (0.71) PDE4DNR4A2NR1I2HMGCRTBXA2R
SCHEMBL5500459 1.00 PDE4D (0.71) PDE4DNR4A2NR1I2HMGCRTBXA2R
SCHEMBL27517669 0.99 PDE4D (0.70) PDE4DNR4A2NR1I2HMGCRTBXA2R
SCHEMBL8322970 0.93 PDE4D (0.61) PDE4DNR4A2NR1I2HMGCRTBXA2R
SCHEMBL8325578 0.91 PDE4D (0.59) PDE4DNR4A2NR1I2HMGCRTBXA2R
SCHEMBL8323602 0.88 HMGCR (0.66) PDE4DNR4A2NR1I2HMGCRTBXA2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070166360-A1 External preparation KOWA CO., LTD. (JP) 2007-07-19 US disclosed
EP-1731147-A1 EXTERNAL PREPARATION Kowa Co., Ltd. (JP) 2006-12-13 EP disclosed
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 (3 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 PDE4D 4577/4885NR4A2 3719/4885NR1I2 487/4885
US-20070166360-A1 External preparation CYP46A1, CYP4A11, CYP4A22 PDE4D 4117/4885NR4A2 777/4885NR1I2 379/4885
US-20020146454-A1 METHOD FOR PRODUCING MEDICAMENTS CONTAINING HMG-COA-REDUCTASE INHIBITORS HMGCR, CYP11A1, HMGB3 PDE4D 4284/4885NR4A2 4026/4885NR1I2 603/4885

“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.