SCHEMBL2546500

SCHEMBL2546500

CC(C)(C)OC(=O)N[C@@H](Cc1ccc(C(F)(F)F)nc1)CN(C(=O)OC(C)(C)C)c1nc(Br)cs1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTPRB P23467 10/20 0.34
ATM Q13315 1/20 0.34
AAK1 Q2M2I8 2/20 0.32
CTSS P25774 1/20 0.32
CTSK P43235 1/20 0.32
PTPN1 P18031 1/20 0.31
CYP3A4 P08684 2/20 0.31
NR1H4 Q96RI1 1/20 0.31
ADORA2A P29274 1/20 0.31
KCNQ3 O43525 1/20 0.31
KCNQ2 O43526 1/20 0.31
KCNQ4 P56696 1/20 0.31
KCNQ5 Q9NR82 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
SCHEMBL2549397 1.00 PTPRB (0.34) PTPRBATMAAK1CTSSCTSK
SCHEMBL2547634 0.93 ATM (0.36) PTPRBATMAAK1CTSSCTSK
SCHEMBL2547638 0.93 ATM (0.36) PTPRBATMAAK1CTSSCTSK
SCHEMBL13286159 0.91 PTPRB (0.35) PTPRBATMPTPN1CYP3A4KCNQ3
SCHEMBL4305986 0.88 PTPRB (0.39) PTPRBATMCTSSCTSK
SCHEMBL4305985 0.88 PTPRB (0.39) PTPRBATMCTSSCTSK
SCHEMBL2549301 0.87 PTPRB (0.33) PTPRBATMCTSSCTSK
SCHEMBL1743510 0.87 PTPRB (0.33) PTPRBATMCTSSCTSK
SCHEMBL2550148 0.87 ATM (0.35) PTPRBATMAAK1CTSSCTSK
SCHEMBL4298661 0.87 ATM (0.35) PTPRBATMAAK1CTSSCTSK

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 3 patents. 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
US-20110263647-A1 FLUOROISOQUINOLINE SUBSTITUTED THIAZOLE COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2011-10-27 US disclosed
WO-2010083246-A1 FLUOROISOQUINOLINE SUBSTITUTED THIAZOLE COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2010-07-22 WO 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 PTPRB 879/4885ATM 332/4885AAK1 588/4885

“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.