SCHEMBL2545442

SCHEMBL2545442

CC(C)(C)OC(=O)N[C@H](Cc1ccc(C(F)(F)F)nc1)CN(C(=O)O)c1ncc(Br)s1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.37
CTSS P25774 2/20 0.34
CTSK P43235 2/20 0.34
CYP3A4 P08684 6/20 0.34
AAK1 Q2M2I8 2/20 0.34
PTPRB P23467 1/20 0.34
AKT1 P31749 2/20 0.34
MLYCD O95822 3/20 0.33
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
TSHR P16473 1/20 0.32
CYP2C19 P33261 1/20 0.32
APP P05067 1/20 0.32
BCL2 P10415 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
SCHEMBL2545438 1.00 ATM (0.37) ATMCTSSCTSKCYP3A4AAK1
SCHEMBL2550153 0.93 ATM (0.35) ATMCTSSCTSKCYP3A4AAK1
SCHEMBL4298661 0.93 ATM (0.35) ATMCTSSCTSKCYP3A4AAK1
SCHEMBL2550148 0.93 ATM (0.35) ATMCTSSCTSKCYP3A4AAK1
SCHEMBL2547638 0.87 ATM (0.36) ATMCTSSCTSKCYP3A4AAK1
SCHEMBL2547634 0.87 ATM (0.36) ATMCTSSCTSKCYP3A4AAK1
SCHEMBL3704620 0.86 ATM (0.39) ATMCTSSCTSKCYP3A4AAK1
SCHEMBL3704617 0.86 ATM (0.39) ATMCTSSCTSKCYP3A4AAK1
SCHEMBL2549204 0.84 ATM (0.33) ATMCTSSCTSKCYP3A4PTPRB
SCHEMBL2549200 0.84 ATM (0.33) ATMCTSSCTSKCYP3A4PTPRB

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 ATM 332/4885CTSS 2788/4885CTSK 1877/4885

“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.