SCHEMBL4296586

SCHEMBL4296586

CCOC(=O)Cc1cccc(F)c1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 3/20 0.47
L3MBTL1 Q9Y468 1/20 0.43
KMT2A Q03164 4/20 0.42
MEN1 O00255 2/20 0.42
HTT P42858 1/20 0.42
MAPK1 P28482 3/20 0.41
PKM P14618 1/20 0.41
LMNA P02545 3/20 0.40
MAPT P10636 2/20 0.39
GAA P10253 1/20 0.39
NPC1 O15118 1/20 0.39
S1PR4 O95977 1/20 0.39
ALDH1A1 P00352 1/20 0.39
ITGA4 P13612 1/20 0.39
HPGD P15428 1/20 0.39
S1PR1 P21453 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TLR9 Q9NR96 1/20 0.39

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
SCHEMBL11095039 0.86 CXCL8 (0.47) NLRP3L3MBTL1KMT2AMAPK1PKM
SCHEMBL21438038 0.86 ALDH1A1 (0.51) NLRP3KMT2AMEN1HTTMAPK1
SCHEMBL27836447 0.86 PDGFRB (0.43) KMT2AMEN1HTTMAPK1PKM
SCHEMBL12053317 0.84 GPR35 (0.45) NLRP3KMT2AMEN1HTTMAPK1
SCHEMBL11092358 0.83 ALDH1A1 (0.49) NLRP3KMT2AMEN1HTTMAPK1
SCHEMBL16397045 0.82 MTNR1A (0.43) L3MBTL1LMNAMAPTGAANPC1
SCHEMBL2565099 0.81 GAA (0.39) L3MBTL1KMT2AMEN1LMNAMAPT
SCHEMBL22284116 0.81 GAA (0.40) L3MBTL1KMT2AMEN1LMNAMAPT
SCHEMBL13885226 0.81 KMT2A (0.42) NLRP3L3MBTL1KMT2ALMNAMAPT
SCHEMBL2729457 0.79 CXCL8 (0.47) L3MBTL1KMT2AMEN1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1981884-B1 THIAZOLE COMPOUNDS AS PROTEIN KINASE B (PKB) INHIBITORS AMGEN INC (US) 2012-06-13 EP disclosed
US-8084479-B2 Thiazole compounds and methods of use AMGEN INC. (US) 2011-12-27 US disclosed
US-8084479-B2 Thiazole compounds and methods of use AMGEN INC. (US) 2011-12-27 US disclosed
US-20090270445-A1 Thiazole compounds and methods of use AMGEN INC. (US) 2009-10-29 US disclosed
US-20090270445-A1 Thiazole compounds and methods of use AMGEN INC. (US) 2009-10-29 US disclosed
CN-101421265-A Thiazole compounds as protein kinase b (pkb) inhibitors AMGEN INC (US) 2009-04-29 CN disclosed
US-7514566-B2 Thiazole compounds and methods of use AMGEN, INC. (US) 2009-04-07 US disclosed
EP-1981884-A2 THIAZOLE COMPOUNDS AS PROTEIN KINASE B (PKB) INHIBITORS Amgen, Inc (US) 2008-10-22 EP disclosed
WO-2007084391-A2 THIAZOLE COMPOUNDS AS PROTEIN KINASE B ( PKB) INHIBITORS AMGEN INC. (US) 2007-07-26 WO disclosed
WO-2007084391-A2 THIAZOLE COMPOUNDS AS PROTEIN KINASE B ( PKB) INHIBITORS AMGEN INC. (US) 2007-07-26 WO disclosed
US-20070173506-A1 Thiazole compounds and methods of use AMGEN INC. (US) 2007-07-26 US disclosed
US-20070173506-A1 Thiazole compounds and methods of use AMGEN INC. (US) 2007-07-26 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 (2 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-20090270445-A1 Thiazole compounds and methods of use MTOR, JAK2, TK2 NLRP3 2306/4885L3MBTL1 3411/4885KMT2A 3711/4885
US-20070173506-A1 Thiazole compounds and methods of use MTOR, JAK2, PCK2 NLRP3 928/4885L3MBTL1 3505/4885KMT2A 3968/4885

“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.