SCHEMBL1594664

SCHEMBL1594664

CON(C)C(=O)[C@H](Cc1ccc(C(F)(F)F)cc1)N(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.47
NOS1 P29475 1/20 0.47
NOS2 P35228 1/20 0.47
MTOR P42345 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
PPARG P37231 1/20 0.45
PPARA Q07869 1/20 0.45
TMEM97 Q5BJF2 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
SLC6A9 P48067 1/20 0.42
FAAH O00519 1/20 0.41
HPGD P15428 1/20 0.41
TP53 P04637 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
LIPE Q05469 1/20 0.41
TACR1 P25103 1/20 0.40
KCNH2 Q12809 1/20 0.40
FPR2 P25090 1/20 0.40

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
SCHEMBL1594667 1.00 NOS3 (0.47) NOS3NOS1NOS2MTORMEN1
SCHEMBL9329177 0.89 HPGD (0.50) FAAHHPGDMAPTKCNH2
SCHEMBL4297563 0.83 MTOR (0.49) NOS3NOS1NOS2MTORMEN1
SCHEMBL4297567 0.83 MTOR (0.49) NOS3NOS1NOS2MTORMEN1
SCHEMBL1594754 0.82 PPARG (0.53) NOS3NOS1NOS2MTORMEN1
SCHEMBL1594751 0.82 PPARG (0.53) NOS3NOS1NOS2MTORMEN1
SCHEMBL475752 0.81 MEN1 (0.43) NOS3NOS1NOS2MEN1KMT2A
SCHEMBL475750 0.81 MEN1 (0.43) NOS3NOS1NOS2MEN1KMT2A
SCHEMBL841890 0.79 HPGD (0.43) MEN1KMT2AFAAHHPGDPOLB
SCHEMBL841889 0.79 HPGD (0.43) MEN1KMT2AFAAHHPGDPOLB

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 25 patents — showing the first 20. 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-8084479-B2 Thiazole compounds and methods of use AMGEN INC. (US) 2011-12-27 US disclosed
US-7919504-B2 Thiadiazole modulators of PKB AMGEN INC. (US) 2011-04-05 US disclosed
US-7919504-B2 Thiadiazole modulators of PKB AMGEN INC. (US) 2011-04-05 US disclosed
US-7919504-B2 Thiadiazole modulators of PKB AMGEN INC. (US) 2011-04-05 US disclosed
EP-2167504-A2 THIADIAZOLE MODULATORS OF PKB Amgen, Inc (US) 2010-03-31 EP disclosed
US-20090298836-A1 Thiadiazole modulators of PKB AMGEN INC. (US) 2009-12-03 US disclosed
US-20090298836-A1 Thiadiazole modulators of PKB AMGEN INC. (US) 2009-12-03 US disclosed
US-7514566-B2 Thiazole compounds and methods of use AMGEN, INC. (US) 2009-04-07 US disclosed
US-7514566-B2 Thiazole compounds and methods of use AMGEN, INC. (US) 2009-04-07 US disclosed
WO-2009011871-A2 THIADIAZOLE MODULATORS OF PKB AMGEN INC. (US) 2009-01-22 WO disclosed
WO-2009011871-A2 THIADIAZOLE MODULATORS OF PKB AMGEN INC. (US) 2009-01-22 WO 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
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-20090298836-A1 Thiadiazole modulators of PKB PDK1, PDK2, MTOR NOS3 1354/4885NOS1 1749/4885NOS2 1279/4885
US-20070173506-A1 Thiazole compounds and methods of use MTOR, JAK2, PCK2 NOS3 2232/4885NOS1 2161/4885NOS2 1378/4885

“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.