SCHEMBL4298835

SCHEMBL4298835

CCOC(=O)C(C(=O)OCC)c1cc(Br)c(F)cc1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.43
ALDH1A1 P00352 7/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
GPR174 Q9BXC1 3/20 0.41
PKM P14618 2/20 0.39
LMNA P02545 2/20 0.37
POLB P06746 2/20 0.37
HPGD P15428 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
GALR2 O43603 1/20 0.37
MITF O75030 1/20 0.37
HSP90AA1 P07900 1/20 0.37
XBP1 P17861 1/20 0.37
CCR6 P51684 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36

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
SCHEMBL15577402 0.89 MAPT (0.38) MAPTALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL12064620 0.84 MAPT (0.40) MAPTALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL30886466 0.84 ALDH1A1 (0.54) MAPTALDH1A1KMT2AMEN1PKM
SCHEMBL10293559 0.84 ALDH1A1 (0.54) MAPTALDH1A1KMT2AMEN1PKM
SCHEMBL13885216 0.83 MAPT (0.39) MAPTALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL24875803 0.83 MAPT (0.42) MAPTALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL13532049 0.82 MAPT (0.45) MAPTALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL7750957 0.82 ALDH1A1 (0.42) MAPTALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL14334267 0.81 MAPT (0.41) MAPTALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL13532051 0.79 MAPT (0.43) MAPTALDH1A1SMN1; SMN2KMT2AMEN1

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 11 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
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 MAPT 2665/4885ALDH1A1 2019/4885SMN1; SMN2 2808/4885
US-20070173506-A1 Thiazole compounds and methods of use MTOR, JAK2, PCK2 MAPT 2718/4885ALDH1A1 2061/4885SMN1; SMN2 3662/4885

“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.