SCHEMBL5537352

SCHEMBL5537352

COC(=O)Cc1ccc(-c2ccc(O)cc2F)cc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.50
CYP4A11 Q02928 1/20 0.50
HSP90AB1 P08238 1/20 0.49
HCAR2 Q8TDS4 2/20 0.48
ABCB1 P08183 2/20 0.46
ESR1 P03372 5/20 0.46
ESR2 Q92731 1/20 0.46
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.46
GFER P55789 1/20 0.46
APP P05067 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
PDK2 Q15119 1/20 0.42
RORC P51449 2/20 0.42
SENP1 Q9P0U3 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL29255229 0.85 DHODH (0.45) HSP90AB1HCAR2ESR1ESR2ALDH1A1
SCHEMBL25222368 0.84 CYP4F2 (0.49) CYP4F2CYP4A11HSP90AB1ALDH1A1GAA
SCHEMBL2773235 0.84 HSD17B1 (0.55) CYP4F2CYP4A11HSP90AB1HCAR2ESR1
SCHEMBL5536200 0.83 CYP4F2 (0.50) CYP4F2CYP4A11HSP90AB1HCAR2ESR1
SCHEMBL5537340 0.83 ESR1 (0.54) CYP4F2CYP4A11HSP90AB1ABCB1ESR1
SCHEMBL5533783 0.82 HSP90AB1 (0.56) CYP4F2CYP4A11HSP90AB1ESR1ESR2
SCHEMBL15564511 0.82 AKR1C3 (0.51) CYP4F2CYP4A11HSP90AB1ALDH1A1GAA
SCHEMBL4945342 0.82 CA2 (0.56) HCAR2ESR1ESR2GAAAPP
SCHEMBL4205169 0.81 HPGD (0.52) CYP4F2CYP4A11ALDH1A1GAAGFER
SCHEMBL12869880 0.81 CYP4F2 (0.54) CYP4F2CYP4A11ALDH1A1CYP3A4PDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2234978-B1 CARBAMOYL COMPOUNDS AS DGAT1 INHIBITORS 190 ASTRAZENECA AB (SE) 2015-02-25 EP disclosed
US-20120108602-A1 Carbamoyl Compounds as DGAT1 Inhibitors 190 ASTRAZENECA AB (SE) 2012-05-03 US disclosed
US-20120108602-A1 Carbamoyl Compounds as DGAT1 Inhibitors 190 ASTRAZENECA AB (SE) 2012-05-03 US disclosed
US-7994179-B2 Carbamoyl compounds as DGAT1 inhibitors 190 ASTRAZENECA AB (SE) 2011-08-09 US disclosed
US-7994179-B2 Carbamoyl compounds as DGAT1 inhibitors 190 ASTRAZENECA AB (SE) 2011-08-09 US disclosed
US-20090298853-A1 Carbamoyl Compounds as DGAT1 Inhibitors 190 ASTRAZENECA AB (SE) 2009-12-03 US disclosed
US-20090298853-A1 Carbamoyl Compounds as DGAT1 Inhibitors 190 ASTRAZENECA AB (SE) 2009-12-03 US disclosed
WO-2009081195-A1 CARBAMOYL COMPOUNDS AS DGAT1 INHIBITORS 190 ASTRAZENECA AB (SE) 2009-07-02 WO 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-20120108602-A1 Carbamoyl Compounds as DGAT1 Inhibitors 190 DGAT1, DGAT2, SOAT1 CYP4F2 543/4885CYP4A11 1335/4885HSP90AB1 2246/4885
US-20090298853-A1 Carbamoyl Compounds as DGAT1 Inhibitors 190 DGAT1, DGAT2, SOAT1 CYP4F2 548/4885CYP4A11 1373/4885HSP90AB1 2340/4885

“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.