SCHEMBL2544472

SCHEMBL2544472

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

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
AKT1 P31749 3/20 0.36
MLYCD O95822 7/20 0.35
AAK1 Q2M2I8 2/20 0.33
FPR2 P25090 3/20 0.32
CTSS P25774 1/20 0.32
CTSK P43235 1/20 0.32
POLB P06746 1/20 0.31
GAA P10253 1/20 0.31
FPR3 P25089 2/20 0.31
TRPM8 Q7Z2W7 1/20 0.31

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
SCHEMBL2549341 0.88 PPARG (0.34) PPARGPPARAAAK1
SCHEMBL2544478 0.85 PPARG (0.36) PPARGPPARAAKT1MLYCDAAK1
SCHEMBL2548965 0.84 PPARG (0.37) PPARGPPARAAKT1MLYCDAAK1
SCHEMBL2548962 0.84 PPARG (0.37) PPARGPPARAAKT1MLYCDAAK1
SCHEMBL2546511 0.82 PPARG (0.35) PPARGPPARAAKT1MLYCDAAK1
SCHEMBL2550430 0.81 PPARG (0.34) PPARGPPARATRPM8
SCHEMBL2550279 0.81 PPARG (0.34) PPARGPPARAAAK1TRPM8
SCHEMBL3704617 0.79 ATM (0.39) PPARGPPARAAKT1MLYCDAAK1
SCHEMBL3704620 0.79 ATM (0.39) PPARGPPARAAKT1MLYCDAAK1
SCHEMBL4303579 0.79 PPARG (0.39) PPARGPPARAAKT1AAK1CTSS

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 896/4885AKT1 74/4885

“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.