SCHEMBL311398

SCHEMBL311398

CC(C)(C)OC(=O)N1CCC(C(=O)NCC(=O)c2ccc(C(F)(F)F)c(F)c2)CC1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.57
KMT2A Q03164 1/20 0.48
STS P08842 3/20 0.48
PTPN2 P17706 1/20 0.47
PTPN1 P18031 1/20 0.47
PTPN6 P29350 1/20 0.47
ABL1 P00519 1/20 0.46
RIN1 Q13671 1/20 0.46
GPR119 Q8TDV5 7/20 0.44
SFRP1 Q8N474 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
KDM4E B2RXH2 1/20 0.44
PKM P14618 1/20 0.44
PDE4A P27815 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 1/20 0.43

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
SCHEMBL2063004 0.92 EPHX2 (0.57) EPHX2KMT2ASTSPTPN2PTPN1
SCHEMBL15732620 0.88 POLB (0.43) EPHX2KMT2A
SCHEMBL11904707 0.85 STS (0.50) EPHX2KMT2ASTSPTPN2PTPN1
SCHEMBL311411 0.85 KMT2A (0.55) EPHX2KMT2ASTSPTPN2PTPN1
SCHEMBL17151686 0.84 KMT2A (0.55) EPHX2KMT2ASTSPTPN2PTPN1
SCHEMBL311246 0.83 STS (0.56) EPHX2KMT2ASTSPTPN2PTPN1
SCHEMBL15732545 0.81 STS (0.58) EPHX2KMT2ASTSPTPN2PTPN1
SCHEMBL15732637 0.81 NOTUM (0.45) EPHX2KMT2A
SCHEMBL15732668 0.80 STS (0.52) EPHX2KMT2ASTSPTPN2PTPN1
SCHEMBL311341 0.80 KDM4E (0.63) EPHX2KMT2ASTSPTPN2PTPN1

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 6 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-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
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 (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-20090163714-A1 P70 S6 KINASE INHIBITORS RPS6KA6, RPS6KA1, RPS6KA2 EPHX2 4803/4885KMT2A 3302/4885STS 3776/4885
US-20120071490-A1 P70 S6 KINASE INHIBITORS RPS6KA6, RPS6KA1, RPS6KA2 EPHX2 4803/4885KMT2A 3302/4885STS 3776/4885

“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.