SCHEMBL1594425

SCHEMBL1594425

O=CC(Cc1ccc(C(F)(F)F)cc1)N(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.44
PPARA Q07869 2/20 0.44
MTOR P42345 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
FPR2 P25090 1/20 0.40
TP53 P04637 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
NR3C1 P04150 1/20 0.39
TMEM97 Q5BJF2 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
CNR2 P34972 1/20 0.38
NOS3 P29474 1/20 0.38
NOS1 P29475 1/20 0.38
NOS2 P35228 1/20 0.38
SLC6A9 P48067 1/20 0.38
MDM2 Q00987 1/20 0.37

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
SCHEMBL1594421 1.00 PPARG (0.44) PPARGPPARAMTORNPC1RAB9A
SCHEMBL475431 0.86 EPHX1 (0.44) MEN1KMT2ASIGMAR1
SCHEMBL475432 0.86 EPHX1 (0.44) MEN1KMT2ASIGMAR1
SCHEMBL18039491 0.81 MME (0.43) NPC1RAB9AFPR2MEN1KMT2A
SCHEMBL18039493 0.81 MME (0.43) NPC1RAB9AFPR2MEN1KMT2A
SCHEMBL1594754 0.77 PPARG (0.53) PPARGPPARAMTORFPR2TP53
SCHEMBL1594751 0.77 PPARG (0.53) PPARGPPARAMTORFPR2TP53
SCHEMBL14130060 0.77 TDP1 (0.36) MEN1KMT2ASIGMAR1
SCHEMBL475774 0.77 TDP1 (0.36) MEN1KMT2ASIGMAR1
SCHEMBL475776 0.77 TDP1 (0.36) MEN1KMT2ASIGMAR1

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-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-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
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
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 (3 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 PPARG 361/4885PPARA 781/4885MTOR 3/4885
US-20090270445-A1 Thiazole compounds and methods of use MTOR, JAK2, TK2 PPARG 185/4885PPARA 466/4885MTOR 1/4885
US-20070173506-A1 Thiazole compounds and methods of use MTOR, JAK2, PCK2 PPARG 194/4885PPARA 486/4885MTOR 1/4885

“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.