Sugi Predict

Sugi Predict / Compounds / SCHEMBL311110

SCHEMBL311110

SCHEMBL311110

CC[N+]([O-])(C(=O)N1CCC(C(=O)OC(C)(C)C)CC1)c1ccc(F)c(C(F)(F)F)c1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 4/20 0.39
▸ NOTUM Q6P988 1/20 0.38
▸ PREP P48147 1/20 0.37
▸ HRH3 Q9Y5N1 1/20 0.36
▸ ALDH1A1 P00352 4/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ DPP4 P27487 1/20 0.35
▸ TSHR P16473 2/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ SFRP1 Q8N474 3/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ STS P08842 1/20 0.34
▸ GPR119 Q8TDV5 1/20 0.34
▸ KCNN4 O15554 1/20 0.34
▸ RORC P51449 1/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 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
SCHEMBL14782485 0.85 EPHX2 (0.47) EPHX2PREPDPP4SFRP1STS
SCHEMBL311109 0.72 EPHX2 (0.43) EPHX2NOTUMPREPHRH3ALDH1A1
SCHEMBL15732669 0.70 STS (0.46) EPHX2DPP4STSGPR119KMT2A
SCHEMBL312375 0.69 MAPT (0.48) EPHX2KDM4ESTSGPR119KMT2A
SCHEMBL311510 0.69 STS (0.47) EPHX2STSGPR119
SCHEMBL15732546 0.67 STS (0.52) EPHX2DPP4SFRP1STSGPR119
SCHEMBL19078389 0.67 FFAR4 (0.51) NOTUMALDH1A1TSHRTDP1STS
SCHEMBL2063004 0.65 EPHX2 (0.57) EPHX2KDM4ESTSGPR119KMT2A
SCHEMBL2063007 0.65 EPHX2 (0.47) EPHX2PREPDPP4TSHRMAPK1
SCHEMBL15732703 0.64 STS (0.46) EPHX2STSGPR119KMT2A

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 7 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
US-20090163714-A1 P70 S6 KINASE INHIBITORS ELI LILLY AND COMPANY 2009-06-25 — — 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 (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 4881/4885NOTUM 3527/4885PREP 2270/4885
US-20090163714-A1 P70 S6 KINASE INHIBITORS RPS6KA6, RPS6KA1, RPS6KA2 EPHX2 4803/4885NOTUM 3685/4885PREP 3334/4885
US-20110207752-A1 P70 S6 KINASE INHIBITOR AND EGFR INHIBITOR COMBINATION THERAPY RPS6KA1, RPS6KA3, RPS6KA4 EPHX2 4781/4885NOTUM 3292/4885PREP 2014/4885
US-20120071490-A1 P70 S6 KINASE INHIBITORS RPS6KA6, RPS6KA1, RPS6KA2 EPHX2 4803/4885NOTUM 3685/4885PREP 3334/4885

“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.