SCHEMBL3290332

SCHEMBL3290332

Cc1ccc(NC(=O)OC(C)(C)C)c(CO)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
HPGD P15428 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
MAPT P10636 1/20 0.44
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
POLB P06746 1/20 0.40
ATM Q13315 1/20 0.40
KCNQ4 P56696 1/20 0.40
KCNQ5 Q9NR82 1/20 0.40
BRD9 Q9H8M2 1/20 0.39
CISD2 Q8N5K1 1/20 0.39
HTT P42858 2/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP17A1 P05093 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA9 Q16790 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
SCHEMBL2895708 0.88 CYP1A2 (0.46) CYP1A2CYP2C9CYP2C19HPGDSMN1; SMN2
SCHEMBL22941720 0.87 CYP1A2 (0.45) CYP1A2CYP2C9CYP2C19HPGDSMN1; SMN2
SCHEMBL17230181 0.87 CYP1A2 (0.45) CYP1A2CYP2C9CYP2C19HPGDSMN1; SMN2
SCHEMBL29927204 0.85 GAA (0.44) CYP2C9HPGDMAPTMEN1KMT2A
SCHEMBL8139434 0.85 AAK1 (0.46) SMN1; SMN2MAPTMEN1KMT2AALDH1A1
SCHEMBL1196841 0.85 GAA (0.44) CYP2C9HPGDMAPTMEN1KMT2A
SCHEMBL4050662 0.83 RXFP1 (0.51) CYP1A2CYP2C9CYP2C19MAPTMEN1
SCHEMBL29729975 0.81 ALDH1A1 (0.50) HPGDMAPTMEN1KMT2APOLB
SCHEMBL646870 0.81 ALDH1A1 (0.50) HPGDMAPTMEN1KMT2APOLB
SCHEMBL5958667 0.81 RXFP1 (0.41) SMN1; SMN2MAPTPOLBKCNQ4KCNQ5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7723326-B2 Heterocyclic amide derivatives as RXR agonists for the treatment of dyslipidemia, hypercholesterolemia and diabetes JANSSEN PHARMACEUTICA N.V. (US) 2010-05-25 US disclosed
EP-1948623-A2 HETEROCYCLIC AMIDE DERIVATIVES AS RXR AGONISTS FOR THE TREATMENT OF DYSLIPIDEMIA, HYPERCHOLESTEROLEMIA AND DIABETES Janssen Pharmaceutica, N.V. (BE) 2008-07-30 EP disclosed
WO-2007041077-A2 HETEROCYCLIC AMIDE DERIVATIVES AS RXR AGONISTS FOR THE TREATMENT OF DYSLIPIDEMIA, HYPERCHOLESTEROLEMIA AND DIABETES JANSSEN PHARMACEUTICA N.V. (BE) 2007-04-12 WO disclosed
US-20070078129-A1 Heterocyclic amide derivatives as RXR agonists for the treatment of dyslipidemia, hypercholesterolemia and diabetes JANSSEN PHARMACEUTICA N.V. 2007-04-05 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-20070078129-A1 Heterocyclic amide derivatives as RXR agonists for the treatment of dyslipidemia, hypercholesterolemia and diabetes NR1H2, NR1H3, RXRA CYP1A2 196/4885CYP2C9 422/4885CYP2C19 539/4885

“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.