SCHEMBL2123683

SCHEMBL2123683

COC(=O)C(C)(C(=O)O)[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.41
NPSR1 Q6W5P4 1/20 0.39
DGAT1 O75907 1/20 0.35
ALDH1A1 P00352 4/20 0.34
POLB P06746 1/20 0.34
KCNN4 O15554 1/20 0.32
TSHR P16473 1/20 0.31
CYP3A4 P08684 1/20 0.31

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
SCHEMBL8412051 0.89 CYP2C19 (0.44) CYP2C19NPSR1DGAT1ALDH1A1POLB
SCHEMBL27853892 0.81 ALDH1A1 (0.43) CYP2C19ALDH1A1TSHR
SCHEMBL3950466 0.75 CYP2C19 (0.44) CYP2C19NPSR1DGAT1ALDH1A1POLB
SCHEMBL19283840 0.75 ALDH1A1 (0.38) ALDH1A1TSHR
SCHEMBL17674169 0.72 CYP2C19 (0.42) CYP2C19NPSR1DGAT1ALDH1A1POLB
SCHEMBL23829928 0.68 CYP2C19 (0.40) CYP2C19NPSR1DGAT1ALDH1A1POLB
SCHEMBL10574153 0.68 CYP2C19 (0.40) CYP2C19NPSR1DGAT1ALDH1A1POLB
SCHEMBL7872758 0.66 ALDH1A1 (0.43) CYP2C19ALDH1A1TSHR
SCHEMBL1010735 0.66 DGAT1 (0.56) CYP2C19DGAT1ALDH1A1KCNN4TSHR
SCHEMBL5593709 0.66

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8765940-B2 Heterocyclic compounds and their uses AMGEN INC. (US) 2014-07-01 US disclosed
EP-2445902-A2 HETEROCYCLIC COMPOUNDS AND THEIR USES AS INHIBITORS OF PI3K ACTIVITY Amgen, Inc (US) 2012-05-02 EP disclosed
US-20120094972-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2012-04-19 US disclosed
WO-2010151737-A2 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2010-12-29 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 (1 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-20120094972-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, MALT1, BCL9 CYP2C19 1555/4885NPSR1 2664/4885DGAT1 2854/4885

“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.