SCHEMBL2124564

SCHEMBL2124564

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

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
TSHR P16473 3/20 0.33
HIF1A Q16665 2/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
LMNA P02545 2/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
BLM P54132 1/20 0.31
HBB P68871 1/20 0.31
CYP1A2 P05177 1/20 0.30
THRB P10828 1/20 0.30

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
SCHEMBL5488283 0.77 ALDH1A1 (0.38) ALDH1A1
SCHEMBL5319006 0.74 ALDH1A1 (0.35) ALDH1A1HIF1ALMNAMEN1KMT2A
SCHEMBL28272721 0.73 TSHR (0.35) ALDH1A1TSHRHIF1ALMNAMEN1
SCHEMBL4155115 0.73 TSHR (0.35) ALDH1A1TSHRHIF1ALMNAMEN1
SCHEMBL5593709 0.69
SCHEMBL7872758 0.69 ALDH1A1 (0.43) ALDH1A1TSHRHIF1ACYP2D6CYP2C19
SCHEMBL27853892 0.69 ALDH1A1 (0.43) ALDH1A1TSHRHIF1ACYP2D6CYP2C19
SCHEMBL11355390 0.69 ALDH1A1 (0.32) ALDH1A1
SCHEMBL19283720 0.68 TSHR (0.31) TSHR
SCHEMBL9497771 0.68 ALDH1A1 (0.47) ALDH1A1TSHRLMNA

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 5 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
EP-0438311-A2 Di- and tripeptide renin inhibitors MERCK & CO. INC. (US) 1991-07-24 EP 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 ALDH1A1 3735/4885TSHR 1484/4885HIF1A 2125/4885

“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.