SCHEMBL426434

SCHEMBL426434

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

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
HPGD P15428 1/20 0.39
RECQL P46063 1/20 0.37
EPHX1 P07099 1/20 0.37
GPR119 Q8TDV5 4/20 0.37
DDB1 Q16531 1/20 0.37
CRBN Q96SW2 1/20 0.37
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
PIK3CD O00329 1/20 0.35
USP2 O75604 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL3244534 0.88 NR1H2 (0.41) NR1H2MEN1ALDH1A1MAPTKMT2A
SCHEMBL3246480 0.88 NR1H2 (0.41) NR1H2MEN1ALDH1A1MAPTKMT2A
SCHEMBL5186931 0.85 MEN1 (0.39) NR1H2MEN1ALDH1A1MAPTKMT2A
SCHEMBL6977617 0.85 MEN1 (0.39) NR1H2MEN1ALDH1A1MAPTKMT2A
SCHEMBL6217654 0.85 HPGD (0.40) NR1H2MEN1ALDH1A1MAPTKMT2A
SCHEMBL6976635 0.85 HPGD (0.42) NR1H2MEN1ALDH1A1MAPTKMT2A
SCHEMBL447284 0.83 EPHX1 (0.38) NR1H2MEN1ALDH1A1MAPTKMT2A
SCHEMBL427722 0.83 EPHX1 (0.38) NR1H2MEN1ALDH1A1MAPTKMT2A
SCHEMBL426419 0.81 NR1H2 (0.40) NR1H2MEN1ALDH1A1MAPTKMT2A
SCHEMBL19895485 0.81 GPR119 (0.39) NR1H2MEN1ALDH1A1MAPTKMT2A

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 8 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
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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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 NR1H2 1245/4885MEN1 540/4885ALDH1A1 3777/4885
US-20080280879-A1 SUBSTITUTED HETEROCYCLIC DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS XDH, CYP2D6, F12 NR1H2 1245/4885MEN1 540/4885ALDH1A1 3777/4885
US-20110092480-A1 Substituted Heterocyclic Derivatives and Their Pharmaceutical Use and Compositions XDH, CYP2D6, F12 NR1H2 1245/4885MEN1 540/4885ALDH1A1 3777/4885

“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.