SCHEMBL2550412

SCHEMBL2550412

CC(C)(C)OC(=O)N[C@@H](Cc1ccc(Cl)c(Cl)c1)CN(C(=O)OC(C)(C)C)c1ncc(Br)s1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 1/20 0.39
AAK1 Q2M2I8 5/20 0.39
ATM Q13315 1/20 0.35
S1PR3 Q99500 1/20 0.34
CTSS P25774 3/20 0.33
CTSK P43235 3/20 0.33
PTPRB P23467 1/20 0.33
CTSB P07858 1/20 0.33
CTSL P07711 1/20 0.33
TRPA1 O75762 1/20 0.32
TSHR P16473 1/20 0.32
ITGB1 P05556 1/20 0.32
ITGA4 P13612 1/20 0.32
PTPN1 P18031 1/20 0.32
BCL2 P10415 2/20 0.32
MCL1 Q07820 1/20 0.32
FPR3 P25089 1/20 0.32
FPR2 P25090 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
SCHEMBL12241738 0.88 AAK1 (0.36) MLYCDAAK1ATMS1PR3FPR3
SCHEMBL13286161 0.87 HDAC1 (0.35) AAK1ATMFPR3FPR2
SCHEMBL1743885 0.87 HDAC1 (0.35) AAK1ATMFPR3FPR2
SCHEMBL13286149 0.86 ATM (0.36) AAK1ATMCTSSCTSKPTPRB
SCHEMBL2550321 0.85 ATM (0.38) AAK1ATMCTSSCTSKPTPRB
SCHEMBL4303579 0.85 PPARG (0.39) AAK1ATMCTSSCTSKPTPRB
SCHEMBL4303581 0.85 PPARG (0.39) AAK1ATMCTSSCTSKPTPRB
SCHEMBL2550327 0.85 ATM (0.38) AAK1ATMCTSSCTSKPTPRB
SCHEMBL2550148 0.84 ATM (0.35) MLYCDAAK1ATMCTSSCTSK
SCHEMBL2550153 0.84 ATM (0.35) MLYCDAAK1ATMCTSSCTSK

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 MLYCD 1019/4885AAK1 588/4885ATM 332/4885

“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.