SCHEMBL2548962

SCHEMBL2548962

CC(C)(C)OC(=O)N[C@H](CN(C(=O)O)c1ncc(Br)s1)[C@@H](CO)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37
TRPM8 Q7Z2W7 2/20 0.34
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA4 P22748 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
RORC P51449 2/20 0.32
AKT1 P31749 1/20 0.32
MLYCD O95822 4/20 0.31
CTSS P25774 2/20 0.31
CTSK P43235 2/20 0.31
AAK1 Q2M2I8 1/20 0.31
P2RY2 P41231 1/20 0.30
CNR1 P21554 1/20 0.30
CNR2 P34972 1/20 0.30
GABRB1 P18505 1/20 0.30
GABRB2 P47870 1/20 0.30

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
SCHEMBL2548965 1.00 PPARG (0.37) PPARGPPARATRPM8CA1CA2
SCHEMBL2546509 0.93 PPARG (0.35) PPARGPPARATRPM8CA1CA2
SCHEMBL2544478 0.90 PPARG (0.36) PPARGPPARATRPM8CA1CA2
SCHEMBL4294345 0.88 RORC (0.33) PPARGPPARATRPM8RORCCNR1
SCHEMBL4294350 0.88 RORC (0.33) PPARGPPARATRPM8RORCCNR1
SCHEMBL2546511 0.87 PPARG (0.35) PPARGPPARATRPM8CA1CA2
SCHEMBL2550430 0.85 PPARG (0.34) PPARGPPARATRPM8CA1CA2
SCHEMBL2550279 0.85 PPARG (0.34) PPARGPPARATRPM8CA1CA2
SCHEMBL1743571 0.84 PPARG (0.34) PPARGPPARATRPM8CA1CA2
SCHEMBL1742423 0.84 PPARG (0.34) PPARGPPARATRPM8CA1CA2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110263647-A1 FLUOROISOQUINOLINE SUBSTITUTED THIAZOLE COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2011-10-27 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 (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 PPARG 232/4885PPARA 896/4885TRPM8 3810/4885

“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.