SCHEMBL4521169

SCHEMBL4521169

CC(NC(=O)OC(C)(C)C)c1ccc(C(=O)O)cc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 10/20 0.50
TSHR P16473 2/20 0.47
CASP6 P55212 1/20 0.47
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
PDK1 Q15118 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 2/20 0.42
HPGD P15428 1/20 0.42
PPARG P37231 1/20 0.42
PPARA Q07869 1/20 0.42

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
SCHEMBL14735881 0.82 HCAR3 (0.57) HCAR3TSHRCASP6MEN1KMT2A
SCHEMBL6560128 0.82 HCAR3 (0.57) HCAR3TSHRCASP6MEN1KMT2A
SCHEMBL6560146 0.82 HCAR3 (0.57) HCAR3TSHRCASP6MEN1KMT2A
SCHEMBL6560138 0.82 HCAR3 (0.57) HCAR3TSHRCASP6MEN1KMT2A
SCHEMBL4512467 0.82 POLB (0.57) TSHRMEN1KMT2ALMNAMAPT
SCHEMBL6682207 0.81 ALDH1A1 (0.52) TSHRMEN1KMT2AMAPT
SCHEMBL29276459 0.81 HCAR3 (0.52) HCAR3TSHRCASP6MEN1KMT2A
SCHEMBL2441134 0.80 MAPT (0.41) TSHRLMNAMAPTPPARGPPARA
SCHEMBL31733813 0.80 MAPT (0.41) TSHRLMNAMAPTPPARGPPARA
SCHEMBL6559021 0.80 ATM (0.49) HCAR3MEN1KMT2AMAPT

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-20090233960-A1 Kinase Inhibitors DEVGEN NV (BE) 2009-09-17 US disclosed
CN-101287707-A Kinase inhibitors DEVGEN NV (BE) 2008-10-15 CN disclosed
EP-1934181-A2 KINASE INHIBITORS Devgen NV (BE) 2008-06-25 EP disclosed
WO-2007042321-A2 KINASE INHIBITORS DEVGEN N.V. (BE) 2007-04-19 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-20090233960-A1 Kinase Inhibitors ROCK1, MAP3K1, MAP3K11 HCAR3 996/4885TSHR 1584/4885CASP6 2330/4885

“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.