Sugi Predict

Sugi Predict / Compounds / SCHEMBL311246

SCHEMBL311246

SCHEMBL311246

CC(C)(C)OC(=O)N1CCC(C(=O)NCC(=O)c2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ STS P08842 6/20 0.56
▸ EPHX2 P34913 1/20 0.53
▸ KDM4E B2RXH2 1/20 0.49
▸ PKM P14618 1/20 0.49
▸ TGFBR1 P36897 1/20 0.49
▸ PTPN2 P17706 1/20 0.47
▸ PTPN1 P18031 1/20 0.47
▸ PTPN6 P29350 1/20 0.47
▸ TACR1 P25103 1/20 0.47
▸ UBE2M P61081 2/20 0.47
▸ DCUN1D1 Q96GG9 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ HSD11B1 P28845 1/20 0.46
▸ ACKR3 P25106 1/20 0.46
▸ HTT P42858 1/20 0.45
▸ MGLL Q99685 1/20 0.45

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
SCHEMBL311411 0.88 KMT2A (0.55) STSEPHX2KDM4EPKMTGFBR1
SCHEMBL311627 0.86 KMT2A (0.50) KDM4EUBE2MDCUN1D1KMT2AHSD11B1
SCHEMBL311785 0.86 EPHX2 (0.52) STSEPHX2KDM4EPKMPTPN2
SCHEMBL15732545 0.86 STS (0.58) STSEPHX2KDM4EPKMTGFBR1
SCHEMBL3628692 0.85 KMT2A (0.49) KDM4EUBE2MDCUN1D1KMT2AHSD11B1
SCHEMBL311341 0.85 KDM4E (0.63) STSEPHX2KDM4EPKMPTPN2
SCHEMBL16225262 0.84 HSD11B1 (0.60) STSTGFBR1PTPN2PTPN1PTPN6
SCHEMBL23411550 0.84 KMT2A (0.65) STSEPHX2KDM4EPKMTGFBR1
SCHEMBL29967470 0.84 KMT2A (0.65) STSEPHX2KDM4EPKMTGFBR1
SCHEMBL31414500 0.84 KMT2A (0.63) STSEPHX2KDM4EPTPN2PTPN1

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 10 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
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
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
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
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 STS 3776/4885EPHX2 4803/4885KDM4E 2471/4885
US-20120071490-A1 P70 S6 KINASE INHIBITORS RPS6KA6, RPS6KA1, RPS6KA2 STS 3776/4885EPHX2 4803/4885KDM4E 2471/4885

“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.