SCHEMBL311109

SCHEMBL311109

CC(C)(C)OC(=O)C1CCN(C(=O)NCC(=O)c2ccc(F)c(C(F)(F)F)c2)CC1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.43
TAS1R3 Q7RTX0 2/20 0.41
TAS1R1 Q7RTX1 2/20 0.41
TAS1R2 Q8TE23 2/20 0.41
CYP2C19 P33261 2/20 0.40
NOTUM Q6P988 1/20 0.39
GPR119 Q8TDV5 3/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
HSD11B1 P28845 1/20 0.38
CYP2C9 P11712 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
PREP P48147 1/20 0.37
STS P08842 1/20 0.37
POLB P06746 1/20 0.37
HRH3 Q9Y5N1 1/20 0.36
P2RX7 Q99572 1/20 0.36

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
SCHEMBL15732481 0.86 NOTUM (0.50) EPHX2TAS1R3TAS1R1TAS1R2CYP2C19
SCHEMBL2063004 0.85 EPHX2 (0.57) EPHX2GPR119KMT2ASTS
SCHEMBL22305299 0.78 TAS1R3 (0.44) TAS1R3TAS1R1TAS1R2POLB
SCHEMBL15732637 0.78 NOTUM (0.45) EPHX2TAS1R3TAS1R1TAS1R2NOTUM
SCHEMBL311398 0.78 EPHX2 (0.57) EPHX2GPR119KMT2ASTS
SCHEMBL11904707 0.73 STS (0.50) EPHX2GPR119KMT2AALDH1A1SMN1; SMN2
SCHEMBL311110 0.72 EPHX2 (0.39) EPHX2NOTUMGPR119KMT2AMEN1
SCHEMBL4305734 0.71 LMNA (0.43) TAS1R3TAS1R1TAS1R2POLB
SCHEMBL312673 0.71 EPHX2 (0.49) EPHX2GPR119KMT2AMEN1STS
SCHEMBL17438906 0.71 PREP (0.42) EPHX2TAS1R3TAS1R1TAS1R2GPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2148880-B1 P70 S6 KINASE INHIBITORS LILLY CO ELI (US) 2014-05-28 EP disclosed
US-8334293-B2 P70 S6 kinase inhibitor and EGFR inhibitor combination therapy ELI LILLY AND COMPANY (US) 2012-12-18 US disclosed
US-20120071490-A1 P70 S6 KINASE INHIBITORS ELI LILLY AND COMPANY (US) 2012-03-22 US disclosed
US-8093383-B2 P70 S6 kinase inhibitors ELI LILLY AND COMPANY (US) 2012-01-10 US disclosed
US-20110212977-A1 P70 S6 KINASE INHIBITOR AND MTOR INHIBITOR COMBINATION THERAPY ELI LILLY AND COMPANY (US) 2011-09-01 US disclosed
US-20110207752-A1 P70 S6 KINASE INHIBITOR AND EGFR INHIBITOR COMBINATION THERAPY ELI LILLY AND COMPANY (US) 2011-08-25 US disclosed
EP-2355821-A1 P70 S6 KINASE INHIBITOR AND EGFR INHIBITOR COMBINATION THERAPY Eli Lilly and Company (US) 2011-08-17 EP disclosed
EP-2355820-A1 P70 S6 KINASE INHIBITOR AND MTOR INHIBITOR COMBINATION THERAPY Eli Lilly and Company (US) 2011-08-17 EP disclosed
WO-2010056574-A1 P70 S6 KINASE INHIBITOR AND MTOR INHIBITOR COMBINATION THERAPY ELI LILLY AND COMPANY (US) 2010-05-20 WO disclosed
WO-2010056575-A1 P70 S6 KINASE INHIBITOR AND EGFR INHIBITOR COMBINATION THERAPY ELI LILLY AND COMPANY (US) 2010-05-20 WO disclosed
EP-2148880-A1 P70 S6 KINASE INHIBITORS ELI LILLY AND COMPANY (US) 2010-02-03 EP disclosed
US-20090163714-A1 P70 S6 KINASE INHIBITORS ELI LILLY AND COMPANY 2009-06-25 US disclosed
WO-2008140947-A1 P70 S6 KINASE INHIBITORS ELI LILLY AND COMPANY (US) 2008-11-20 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 (4 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-20110212977-A1 P70 S6 KINASE INHIBITOR AND MTOR INHIBITOR COMBINATION THERAPY MTOR, RPS6KA1, RPS6KA4 EPHX2 4881/4885TAS1R3 3840/4885TAS1R1 3928/4885
US-20090163714-A1 P70 S6 KINASE INHIBITORS RPS6KA6, RPS6KA1, RPS6KA2 EPHX2 4803/4885TAS1R3 4642/4885TAS1R1 4458/4885
US-20110207752-A1 P70 S6 KINASE INHIBITOR AND EGFR INHIBITOR COMBINATION THERAPY RPS6KA1, RPS6KA3, RPS6KA4 EPHX2 4781/4885TAS1R3 3682/4885TAS1R1 3752/4885
US-20120071490-A1 P70 S6 KINASE INHIBITORS RPS6KA6, RPS6KA1, RPS6KA2 EPHX2 4803/4885TAS1R3 4642/4885TAS1R1 4458/4885

“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.