SCHEMBL1829709

SCHEMBL1829709

CC(C)C(=O)c1ccc(O)c(C(F)(F)F)c1O

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.41
KDM4E B2RXH2 1/20 0.41
DBH P09172 1/20 0.41
GAA P10253 1/20 0.41
RECQL P46063 1/20 0.41
FFAR1 O14842 1/20 0.39
PDK2 Q15119 1/20 0.38
HSP90AA1 P07900 3/20 0.36
HSP90AB1 P08238 3/20 0.36
PIK3CA P42336 1/20 0.36
NOTUM Q6P988 1/20 0.33
SELL P14151 1/20 0.33
SELP P16109 1/20 0.33
SOAT2 O75908 1/20 0.33
SOAT1 P35610 1/20 0.33

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
SCHEMBL2891340 0.80 ALDH1A1 (0.41) KDM4EGAAPDK2PIK3CANOTUM
SCHEMBL12231333 0.79 HSP90AB1 (0.47) KDM4ERECQLPDK2HSP90AA1HSP90AB1
SCHEMBL32679234 0.79 FFAR1 (0.44) GRM2FFAR1PIK3CA
SCHEMBL1831012 0.79 FFAR1 (0.44) GRM2FFAR1PIK3CA
SCHEMBL32679233 0.79 FFAR1 (0.44) GRM2FFAR1PIK3CA
SCHEMBL18677489 0.78 SELL (0.57) KDM4EGAARECQLPIK3CASELL
SCHEMBL12231292 0.77 ALDH1A1 (0.46) RECQLHSP90AA1HSP90AB1PIK3CA
SCHEMBL16097744 0.76 CFTR (0.47) KDM4EGAAPDK2
SCHEMBL1827944 0.73 GAA (0.44) KDM4EDBHGAARECQLFFAR1
SCHEMBL15631126 0.73 KDM4E (0.44) KDM4EDBHGAARECQLFFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2318375-B1 IMIDAZOLE CARBOXAMIDES LILLY CO ELI (US) 2012-09-19 EP disclosed
EP-2318375-A1 IMIDAZOLE CARBOXAMIDES ELI LILLY AND COMPANY (US) 2011-05-11 EP disclosed
US-7754742-B2 Imidazole carboxamides ELI LILLY AND COMPANY (US) 2010-07-13 US disclosed
WO-2010009062-A1 IMIDAZOLE CARBOXAMIDES ELI LILLY AND COMPANY (US) 2010-01-21 WO disclosed
US-20100016373-A1 IMIDAZOLE CARBOXAMIDES ELI LILLY AND COMPANY 2010-01-21 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-20100016373-A1 IMIDAZOLE CARBOXAMIDES CYP3A4, CYP2C9, AADAC GRM2 2836/4885KDM4E 449/4885DBH 4228/4885

“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.