SCHEMBL1741897

SCHEMBL1741897

COC(=O)C(Cc1ccc(C(F)(F)F)cc1)NC(=O)OC(C)(C)C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 4/20 0.57
NOS1 P29475 4/20 0.57
NOS2 P35228 4/20 0.57
PPARG P37231 1/20 0.56
PPARA Q07869 1/20 0.56
KLK5 Q9Y337 1/20 0.55
CTSS P25774 6/20 0.52
CTSK P43235 5/20 0.52
CTSL P07711 1/20 0.49
CTSB P07858 1/20 0.49
ITGB3 P05106 1/20 0.47
ITGA2B P08514 1/20 0.47
ACE P12821 1/20 0.47
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
KMT2A Q03164 1/20 0.46
MDM4 O15151 1/20 0.46
MDM2 Q00987 1/20 0.46
EPHX2 P34913 1/20 0.44

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
SCHEMBL1741898 1.00 NOS3 (0.57) NOS3NOS1NOS2PPARGPPARA
SCHEMBL1742410 0.92 KLK5 (0.55) NOS3NOS1NOS2PPARGPPARA
SCHEMBL2550419 0.92 KLK5 (0.55) NOS3NOS1NOS2PPARGPPARA
SCHEMBL3729928 0.91 CTSS (0.59) NOS3NOS1NOS2PPARGPPARA
SCHEMBL3499574 0.91 MME (0.54) NOS3NOS1NOS2PPARGPPARA
SCHEMBL3499571 0.91 MME (0.54) NOS3NOS1NOS2PPARGPPARA
SCHEMBL3729929 0.91 CTSS (0.59) NOS3NOS1NOS2PPARGPPARA
SCHEMBL3729927 0.91 CTSS (0.59) NOS3NOS1NOS2PPARGPPARA
SCHEMBL18256512 0.90 MEN1 (0.57) NOS3NOS1NOS2KLK5CTSS
SCHEMBL19329084 0.89 NOS3 (0.62) NOS3NOS1NOS2PPARGCTSK

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 3 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
WO-2010083246-A1 FLUOROISOQUINOLINE SUBSTITUTED THIAZOLE COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2010-07-22 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 (1 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

“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.