SCHEMBL1742052

SCHEMBL1742052

COC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
NOS3 P29474 2/20 0.37
NOS1 P29475 2/20 0.37
NOS2 P35228 2/20 0.37
PDE2A O00408 2/20 0.37
AAK1 Q2M2I8 1/20 0.36
TRPA1 O75762 1/20 0.34
PSENEN Q9NZ42 1/20 0.34
KLK5 Q9Y337 1/20 0.34
EGFR P00533 1/20 0.34
LDHA P00338 3/20 0.33
LDHB P07195 3/20 0.33
CYP26A1 O43174 1/20 0.33
CTSL P07711 1/20 0.33
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
AKR1C3 P42330 1/20 0.33
AKR1C2 P52895 1/20 0.33
P2RY2 P41231 1/20 0.33

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
SCHEMBL12241677 1.00 PPARG (0.39) PPARGPPARANOS3NOS1NOS2
SCHEMBL1742055 1.00 PPARG (0.39) PPARGPPARANOS3NOS1NOS2
SCHEMBL1595742 0.90 PPARG (0.44) PPARGPPARAPDE2AAAK1TRPA1
SCHEMBL5019017 0.90 PPARG (0.44) PPARGPPARAPDE2AAAK1TRPA1
SCHEMBL1742741 0.90 PPARG (0.44) PPARGPPARAPDE2AAAK1TRPA1
SCHEMBL12241678 0.87 JAK3 (0.36) PPARGPPARAPDE2AAAK1TRPA1
SCHEMBL3638236 0.86 PPARG (0.43) PPARGPPARANOS3NOS1NOS2
SCHEMBL12706237 0.86 PPARG (0.43) PPARGPPARANOS3NOS1NOS2
SCHEMBL3638238 0.86 PPARG (0.43) PPARGPPARANOS3NOS1NOS2
SCHEMBL12706285 0.85 PPARG (0.41) PPARGPPARAPDE2A

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 5 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
US-20090298836-A1 Thiadiazole modulators of PKB AMGEN INC. (US) 2009-12-03 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-20110263647-A1 FLUOROISOQUINOLINE SUBSTITUTED THIAZOLE COMPOUNDS AND METHODS OF USE TFEB, PCK2, JAK2 PPARG 232/4885PPARA 896/4885NOS3 1371/4885
US-20090298836-A1 Thiadiazole modulators of PKB PDK1, PDK2, MTOR PPARG 361/4885PPARA 781/4885NOS3 1354/4885

“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.