Sugi Predict

Sugi Predict / Compounds / SCHEMBL427722

SCHEMBL427722

SCHEMBL427722

C=C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1CCC(=O)OC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX1 P07099 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ RECQL P46063 1/20 0.36
▸ PTPN2 P17706 1/20 0.36
▸ PTPN1 P18031 1/20 0.36
▸ PTPN6 P29350 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ DDB1 Q16531 1/20 0.35
▸ CRBN Q96SW2 1/20 0.35
▸ NR1H2 P55055 1/20 0.35
▸ FAAH O00519 1/20 0.35
▸ JAK2 O60674 1/20 0.34
▸ JAK1 P23458 1/20 0.34
▸ PDE4B Q07343 1/20 0.34
▸ EPHX2 P34913 1/20 0.34

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
SCHEMBL447284 1.00 EPHX1 (0.38) EPHX1ALDH1A1MEN1MAPTKMT2A
SCHEMBL5186931 0.88 MEN1 (0.39) EPHX1ALDH1A1MEN1MAPTKMT2A
SCHEMBL6977617 0.88 MEN1 (0.39) EPHX1ALDH1A1MEN1MAPTKMT2A
SCHEMBL3244534 0.85 NR1H2 (0.41) EPHX1ALDH1A1MEN1MAPTKMT2A
SCHEMBL3246480 0.85 NR1H2 (0.41) EPHX1ALDH1A1MEN1MAPTKMT2A
SCHEMBL3631919 0.84 ALDH1A1 (0.35) EPHX1ALDH1A1EPHX2
SCHEMBL426434 0.83 NR1H2 (0.39) EPHX1ALDH1A1MEN1MAPTKMT2A
SCHEMBL6976635 0.83 HPGD (0.42) EPHX1ALDH1A1MEN1MAPTKMT2A
SCHEMBL6168908 0.81 LMNA (0.39) ALDH1A1HPGDPDE4B
SCHEMBL6217654 0.81 HPGD (0.40) EPHX1ALDH1A1MEN1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2481735-A1 Substituted heterocyclic derivatives and compositions and their pharmaceutical use as antibacterials Pfizer Inc. (US) 2012-08-01 — — EP disclosed
EP-2481735-A1 Substituted heterocyclic derivatives and compositions and their pharmaceutical use as antibacterials Pfizer Inc. (US) 2012-08-01 — — EP disclosed
US-20120065188-A1 SUBSTITUTED HETEROCYCLIC DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS PFIZER INC 2012-03-15 — — US disclosed
US-20120065188-A1 SUBSTITUTED HETEROCYCLIC DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS PFIZER INC 2012-03-15 — — US disclosed
US-20120065188-A1 SUBSTITUTED HETEROCYCLIC DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS PFIZER INC 2012-03-15 — — US disclosed
US-20110092480-A1 Substituted Heterocyclic Derivatives and Their Pharmaceutical Use and Compositions PFIZER INC. 2011-04-21 — — US disclosed
US-20110092480-A1 Substituted Heterocyclic Derivatives and Their Pharmaceutical Use and Compositions PFIZER INC. 2011-04-21 — — US disclosed
US-20110092480-A1 Substituted Heterocyclic Derivatives and Their Pharmaceutical Use and Compositions PFIZER INC. 2011-04-21 — — US disclosed
WO-2008139288-A2 SUBSTITUTED HETEROCYCLIC DERIVATIVES AND COMPOSITIONS AND THEIR PHARMACEUTICAL USE AS ANTIBACTERIALS PFIZER INC. (US) 2008-11-20 — — WO disclosed
US-20080280879-A1 SUBSTITUTED HETEROCYCLIC DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS PFIZER INC 2008-11-13 — — US disclosed
US-20080280879-A1 SUBSTITUTED HETEROCYCLIC DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS PFIZER INC 2008-11-13 — — US disclosed
US-20080280879-A1 SUBSTITUTED HETEROCYCLIC DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS PFIZER INC 2008-11-13 — — US disclosed
US-7232834-B2 Quinolylpropylpiperidine derivatives, intermediates and compositions containing them, and preparation therefor NOVEXEL SA (FR) 2007-06-19 — — US disclosed
EP-1542988-B1 PIPERIDINE QUINOLYL PROPYL DERIVATIVES, PREPARATION METHOD AND INTERMEDIATES AND COMPOSITIONS CONTAINING SAME NOVEXEL (FR) 2006-04-12 — — EP disclosed
US-20040087619-A1 Quinolylpropylpiperidine derivatives, intermediates and compositions containing them, and preparation therefor NOVEXEL SA (FR) 2004-05-06 — — 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-20120065188-A1 SUBSTITUTED HETEROCYCLIC DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS XDH, CYP2D6, F12 EPHX1 1851/4885ALDH1A1 3777/4885MEN1 540/4885
US-20080280879-A1 SUBSTITUTED HETEROCYCLIC DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS XDH, CYP2D6, F12 EPHX1 1851/4885ALDH1A1 3777/4885MEN1 540/4885
US-20110092480-A1 Substituted Heterocyclic Derivatives and Their Pharmaceutical Use and Compositions XDH, CYP2D6, F12 EPHX1 1851/4885ALDH1A1 3777/4885MEN1 540/4885
US-20040087619-A1 Quinolylpropylpiperidine derivatives, intermediates and compositions containing them, and preparation therefor FARSB, MRPL21, QTRT1 EPHX1 3269/4885ALDH1A1 2806/4885MEN1 4060/4885

“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.