SCHEMBL1742641

SCHEMBL1742641

CC(C)(C)OC(=O)N[C@H](CO)Cc1ccc(C(C)(F)F)cc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.52
CTSS P25774 6/20 0.45
CTSK P43235 5/20 0.45
PPARG P37231 1/20 0.44
PPARA Q07869 1/20 0.44
APP P05067 4/20 0.43
CTSL P07711 1/20 0.42
CTSB P07858 1/20 0.42
PTPRB P23467 2/20 0.41
CYP3A4 P08684 1/20 0.41
MAPK1 P28482 1/20 0.41
ITGB3 P05106 1/20 0.41
ITGA2B P08514 1/20 0.41
ACE P12821 1/20 0.40
SCN9A Q15858 1/20 0.39

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
SCHEMBL2549240 1.00 ATM (0.52) ATMCTSSCTSKPPARGPPARA
SCHEMBL1595057 0.92 ATM (0.52) ATMCTSSCTSKPPARGPPARA
SCHEMBL1595060 0.92 ATM (0.52) ATMCTSSCTSKPPARGPPARA
SCHEMBL7356988 0.89 ATM (0.54) ATMCTSSCTSKAPPCTSL
SCHEMBL7455343 0.86 CTSS (0.58) ATMCTSSCTSKAPPCTSL
SCHEMBL4896117 0.86 CTSS (0.58) ATMCTSSCTSKAPPCTSL
SCHEMBL4894627 0.86 CTSS (0.58) ATMCTSSCTSKAPPCTSL
SCHEMBL6479279 0.85 CTSS (0.57) ATMCTSSCTSKPPARAAPP
SCHEMBL21676555 0.85 ATM (0.55) ATMCTSSCTSKPPARGPPARA
SCHEMBL6479218 0.85 CTSS (0.57) ATMCTSSCTSKPPARAAPP

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-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-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
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
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
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
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 ATM 332/4885CTSS 2788/4885CTSK 1877/4885
US-20090298836-A1 Thiadiazole modulators of PKB PDK1, PDK2, MTOR ATM 317/4885CTSS 4207/4885CTSK 2849/4885

“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.