SCHEMBL1594902

SCHEMBL1594902

CC(C=Cc1ccc(C(F)(F)F)cc1)OC(=O)CNC(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 4/20 0.41
NOS1 P29475 4/20 0.41
NOS2 P35228 4/20 0.41
PPARA Q07869 2/20 0.40
PPARG P37231 1/20 0.40
HDAC3 O15379 1/20 0.39
ADAM17 P78536 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
CYP1A1 P04798 4/20 0.39
CYP1B1 Q16678 4/20 0.39
MAOB P27338 2/20 0.39
CYP1A2 P05177 1/20 0.39
EPHX2 P34913 1/20 0.35
PTGS1 P23219 1/20 0.35

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
SCHEMBL1594901 1.00 NOS3 (0.41) NOS3NOS1NOS2PPARAPPARG
SCHEMBL1594906 1.00 NOS3 (0.41) NOS3NOS1NOS2PPARAPPARG
SCHEMBL1595235 0.87 NOS3 (0.43) NOS3NOS1NOS2PPARAPPARG
SCHEMBL1595237 0.87 NOS3 (0.43) NOS3NOS1NOS2PPARAPPARG
SCHEMBL1595233 0.87 NOS3 (0.43) NOS3NOS1NOS2PPARAPPARG
SCHEMBL2895501 0.86 NPC1 (0.47) PPARAPPARGHDAC3HDAC1HDAC2
SCHEMBL2895506 0.86 NPC1 (0.47) PPARAPPARGHDAC3HDAC1HDAC2
SCHEMBL9059145 0.78 PPARA (0.47) NOS3NOS1NOS2PPARAPPARG
SCHEMBL30074819 0.75 CA2 (0.41) MAOBEPHX2
SCHEMBL21850382 0.72 PPARG (0.39) NOS3NOS1NOS2PPARAPPARG

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-2387570-A1 FLUOROISOQUINOLINE SUBSTITUTED THIAZOLE COMPOUNDS AND METHODS OF USE Amgen, Inc (US) 2011-11-23 EP disclosed
US-20110263647-A1 FLUOROISOQUINOLINE SUBSTITUTED THIAZOLE COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2011-10-27 US disclosed
US-7919504-B2 Thiadiazole modulators of PKB AMGEN INC. (US) 2011-04-05 US disclosed
WO-2010083246-A1 FLUOROISOQUINOLINE SUBSTITUTED THIAZOLE COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2010-07-22 WO 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
WO-2009011871-A2 THIADIAZOLE MODULATORS OF PKB AMGEN INC. (US) 2009-01-22 WO 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-20110263647-A1 FLUOROISOQUINOLINE SUBSTITUTED THIAZOLE COMPOUNDS AND METHODS OF USE TFEB, PCK2, JAK2 NOS3 1371/4885NOS1 1543/4885NOS2 1195/4885
US-20090298836-A1 Thiadiazole modulators of PKB PDK1, PDK2, MTOR NOS3 1354/4885NOS1 1749/4885NOS2 1279/4885

“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.