SCHEMBL4294371

SCHEMBL4294371

COC(=O)c1nc(C(=O)OC(C)(C)C)sc1Br

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.41
ALDH1A1 P00352 4/20 0.36
LMNA P02545 1/20 0.35
HSD17B10 Q99714 3/20 0.33
MAPT P10636 2/20 0.33
KMT2A Q03164 2/20 0.33
TSHR P16473 1/20 0.33
KDM4E B2RXH2 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
RAF1 P04049 1/20 0.33
HPGD P15428 1/20 0.33
PKM P14618 2/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
F2 P00734 1/20 0.31
LCK P06239 1/20 0.31
PTPN2 P17706 1/20 0.31
DGAT1 O75907 1/20 0.31
MEN1 O00255 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
SCHEMBL4305446 0.86 GRM6 (0.31) NPSR1ALDH1A1LMNA
SCHEMBL23413365 0.81 NPSR1 (0.41) NPSR1ALDH1A1LMNAHSD17B10MAPT
SCHEMBL1742407 0.78 LCK (0.46) NPSR1LCK
SCHEMBL3578079 0.78 NPSR1 (0.38) NPSR1ALDH1A1LMNAHSD17B10MAPT
SCHEMBL25290051 0.76 NPSR1 (0.54) NPSR1ALDH1A1HSD17B10MAPTKMT2A
SCHEMBL2829789 0.73 NPSR1 (0.50) NPSR1ALDH1A1LMNAHSD17B10MAPT
SCHEMBL23413478 0.72 GRM6 (0.33) ALDH1A1LMNA
SCHEMBL1549089 0.71 ALDH1A1 (0.54) NPSR1ALDH1A1HSD17B10MAPTKDM4E
SCHEMBL31539265 0.71 NPSR1 (0.48) NPSR1ALDH1A1LMNAHSD17B10MAPT
SCHEMBL15157022 0.71 NPSR1 (0.44) NPSR1ALDH1A1HSD17B10MAPTKMT2A

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 7 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-20090270445-A1 Thiazole compounds and methods of use AMGEN INC. (US) 2009-10-29 US 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

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 NPSR1 4228/4885ALDH1A1 2019/4885LMNA 1862/4885
US-20070173506-A1 Thiazole compounds and methods of use MTOR, JAK2, PCK2 NPSR1 3531/4885ALDH1A1 2061/4885LMNA 3104/4885

“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.