SCHEMBL1743814

SCHEMBL1743814

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

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.42
PPARG P37231 1/20 0.42
ALDH1A1 P00352 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CTSK P43235 3/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA7 P43166 2/20 0.34
MAPT P10636 2/20 0.33
UTS2R Q9UKP6 1/20 0.32
KLK5 Q9Y337 1/20 0.32
CYP3A4 P08684 1/20 0.32
CA4 P22748 1/20 0.32
CA9 Q16790 1/20 0.32
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32
NOS2 P35228 1/20 0.32
CTSS P25774 1/20 0.32
CNR2 P34972 1/20 0.32

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
SCHEMBL1743813 1.00 PPARA (0.42) PPARAPPARGALDH1A1L3MBTL1CTSK
SCHEMBL2543137 1.00 PPARA (0.42) PPARAPPARGALDH1A1L3MBTL1CTSK
SCHEMBL1743810 1.00 PPARA (0.42) PPARAPPARGALDH1A1L3MBTL1CTSK
SCHEMBL1743805 1.00 PPARA (0.42) PPARAPPARGALDH1A1L3MBTL1CTSK
SCHEMBL2543143 1.00 PPARA (0.42) PPARAPPARGALDH1A1L3MBTL1CTSK
SCHEMBL2543147 1.00 PPARA (0.42) PPARAPPARGALDH1A1L3MBTL1CTSK
SCHEMBL12056527 0.86 PPARG (0.45) PPARAPPARGCTSKCA1CA2
SCHEMBL1742709 0.84 ALDH1A1 (0.36) PPARAPPARGALDH1A1L3MBTL1UTS2R
SCHEMBL1742711 0.84 ALDH1A1 (0.36) PPARAPPARGALDH1A1L3MBTL1UTS2R
SCHEMBL1742715 0.84 ALDH1A1 (0.36) PPARAPPARGALDH1A1L3MBTL1UTS2R

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 PPARA 896/4885PPARG 232/4885ALDH1A1 2488/4885

“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.