SCHEMBL2551201

SCHEMBL2551201

COCc1nc(N(CC(NC(=O)OC(C)(C)C)C(C)c2ccc(C(F)(F)F)cc2)C(=O)O)sc1Br

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.34
PPARA Q07869 1/20 0.34
PSEN1 P49768 2/20 0.32
PSEN2 P49810 2/20 0.32
APH1B Q8WW43 2/20 0.32
NCSTN Q92542 2/20 0.32
APH1A Q96BI3 2/20 0.32
PSENEN Q9NZ42 2/20 0.32
PDE2A O00408 3/20 0.32
AAK1 Q2M2I8 3/20 0.31
TRPM8 Q7Z2W7 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA4 P22748 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31
ABCB1 P08183 1/20 0.31
AKT1 P31749 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
SCHEMBL2551200 1.00 PPARG (0.34) PPARGPPARAPSEN1PSEN2APH1B
SCHEMBL2549626 0.94 PPARG (0.33) PPARGPPARAPDE2AAAK1CA1
SCHEMBL13285839 0.94 PPARG (0.33) PPARGPPARAPDE2AAAK1CA1
SCHEMBL2549628 0.90 PPARG (0.34) PPARGPPARAPDE2A
SCHEMBL2546476 0.82 GSK3B (0.31) AKT1
SCHEMBL2546473 0.82 GSK3B (0.31) AKT1
SCHEMBL1744804 0.82 GSK3B (0.31) AKT1
SCHEMBL2544463 0.81 CA1 (0.33) CA1CA2CA4CA7CA9
SCHEMBL1743589 0.76 GSK3B (0.31) AKT1
SCHEMBL2544478 0.74 PPARG (0.36) PPARGPPARAPSEN1PSEN2APH1B

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 896/4885PSEN1 2406/4885

“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.