SCHEMBL8903146

SCHEMBL8903146

CC(C)(C)OC(=O)N[C@H](COc1ccccc1[N+](=O)[O-])C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
HTT P42858 1/20 0.52
PPARA Q07869 6/20 0.52
PPARG P37231 5/20 0.50
KMT2A Q03164 3/20 0.46
MEN1 O00255 1/20 0.46
ACE P12821 1/20 0.46
KDM4E B2RXH2 1/20 0.45
PPARD Q03181 2/20 0.45
RAB9A P51151 2/20 0.45
NPC1 O15118 1/20 0.45
RECQL P46063 1/20 0.45
POLB P06746 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
IDO1 P14902 1/20 0.43
KCNH2 Q12809 1/20 0.43
BCL2 P10415 1/20 0.43
MCL1 Q07820 1/20 0.43

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
SCHEMBL7281390 1.00 ALDH1A1 (0.52) ALDH1A1HTTPPARAPPARGKMT2A
SCHEMBL29467176 1.00 ALDH1A1 (0.52) ALDH1A1HTTPPARAPPARGKMT2A
SCHEMBL15565625 1.00 ALDH1A1 (0.52) ALDH1A1HTTPPARAPPARGKMT2A
SCHEMBL17321189 0.89 ALDH1A1 (0.50) ALDH1A1HTTPPARAPPARGKMT2A
SCHEMBL8905480 0.87 ALDH1A1 (0.48) ALDH1A1HTTPPARAPPARGACE
SCHEMBL27461471 0.87 ALDH1A1 (0.48) ALDH1A1HTTPPARAPPARGACE
SCHEMBL1562148 0.87 PPARA (0.45) ALDH1A1HTTPPARAPPARGACE
SCHEMBL8903728 0.87 PPARA (0.45) ALDH1A1HTTPPARAPPARGACE
SCHEMBL1562149 0.87 PPARA (0.45) ALDH1A1HTTPPARAPPARGACE
SCHEMBL2236381 0.86 PPARA (0.47) ALDH1A1HTTPPARAPPARGACE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10940154-B2 Heterocyclic amides as kinase inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2021-03-09 US disclosed
US-20190262356-A1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-08-29 US disclosed
US-10292987-B2 Heterocyclic amides as kinase inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-05-21 US disclosed
US-20170183332-A1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-06-29 US disclosed
US-20170183332-A1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-06-29 US disclosed
US-9556152-B2 Heterocyclic amides as kinase inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-01-31 US disclosed
US-9556152-B2 Heterocyclic amides as kinase inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-01-31 US disclosed
US-20170008878-A1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-01-12 US disclosed
US-20170008878-A1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-01-12 US disclosed
US-20150353533-A1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2015-12-10 US disclosed
US-20150353533-A1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2015-12-10 US disclosed
US-5618808-A Benzothiazepine and benzoxazepine derivatives as cholecystokinin receptor antagonists PFIZER, INC. (US) 1997-04-08 US disclosed
EP-0648213-A1 BENZOTHIAZEPINE AND BENZOXAZEPINE DERIVATIVES AS CHOLECYSTOKININ RECEPTOR ANTAGONISTS PFIZER INC. (US) 1995-04-19 EP disclosed
WO-1994001421-A1 BENZOTHIAZEPINE AND BENZOXAZEPINE DERIVATIVES AS CHOLECYSTOKININ RECEPTOR ANTAGONISTS PFIZER INC. (US) 1994-01-20 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 (6 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-20170183332-A1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS CNKSR1, ARAF, MAP4K2 ALDH1A1 2245/4885HTT 4759/4885PPARA 1994/4885
US-10940154-B2 Heterocyclic amides as kinase inhibitors CNKSR1, ARAF, MAP4K2 ALDH1A1 2245/4885HTT 4759/4885PPARA 1994/4885
US-20190262356-A1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS CNKSR1, ARAF, MAP4K2 ALDH1A1 2245/4885HTT 4759/4885PPARA 1994/4885
US-20170008878-A1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS CNKSR1, ARAF, MAP4K2 ALDH1A1 2245/4885HTT 4759/4885PPARA 1994/4885
US-20150353533-A1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS CNKSR1, ARAF, MAP3K3 ALDH1A1 2216/4885HTT 4764/4885PPARA 1878/4885
US-10292987-B2 Heterocyclic amides as kinase inhibitors CNKSR1, ARAF, MAP4K2 ALDH1A1 2245/4885HTT 4759/4885PPARA 1994/4885

“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.