SCHEMBL2550153

SCHEMBL2550153

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.35
AAK1 Q2M2I8 4/20 0.33
PTPRB P23467 2/20 0.33
CTSS P25774 3/20 0.33
CTSK P43235 3/20 0.33
KCNQ3 O43525 1/20 0.31
KCNQ2 O43526 1/20 0.31
KCNQ4 P56696 1/20 0.31
KCNQ5 Q9NR82 1/20 0.31
MLYCD O95822 1/20 0.31
CA2 P00918 2/20 0.31
CA1 P00915 1/20 0.31
CA4 P22748 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31
CYP3A4 P08684 3/20 0.31
CYP2D6 P10635 2/20 0.31
CYP2C9 P11712 2/20 0.31
CYP2C19 P33261 2/20 0.31
CYP2C8 P10632 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
SCHEMBL2550148 1.00 ATM (0.35) ATMAAK1PTPRBCTSSCTSK
SCHEMBL4298661 1.00 ATM (0.35) ATMAAK1PTPRBCTSSCTSK
SCHEMBL2545442 0.93 ATM (0.37) ATMAAK1PTPRBCTSSCTSK
SCHEMBL2545438 0.93 ATM (0.37) ATMAAK1PTPRBCTSSCTSK
SCHEMBL4303581 0.90 PPARG (0.39) ATMAAK1PTPRBCTSSCTSK
SCHEMBL4303579 0.90 PPARG (0.39) ATMAAK1PTPRBCTSSCTSK
SCHEMBL13286149 0.89 ATM (0.36) ATMAAK1PTPRBCTSSCTSK
SCHEMBL2550321 0.88 ATM (0.38) ATMAAK1PTPRBCTSSCTSK
SCHEMBL2550327 0.88 ATM (0.38) ATMAAK1PTPRBCTSSCTSK
SCHEMBL2546500 0.87 PTPRB (0.34) ATMAAK1PTPRBCTSSCTSK

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 332/4885AAK1 588/4885PTPRB 879/4885

“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.