SCHEMBL1743887

SCHEMBL1743887

CC(C)(C)OC(=O)N[C@H](CN(C(=O)O)c1ncc(Br)s1)C(c1ccc2c(c1)OCCO2)C(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OGA O60502 9/20 0.36
EDNRA P25101 1/20 0.34
LIPG Q9Y5X9 2/20 0.34
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA4 P22748 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
AOC3 Q16853 1/20 0.32
FPR3 P25089 2/20 0.32
FPR2 P25090 2/20 0.32
CXCR1 P25024 1/20 0.31
CXCR2 P25025 1/20 0.31
HTT P42858 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
SCHEMBL2547509 0.82 ATM (0.36)
SCHEMBL2547505 0.82 ATM (0.36)
SCHEMBL2551213 0.82 CA1 (0.37) CA1CA2CA4CA7CA9
SCHEMBL2544478 0.76 PPARG (0.36) CA1CA2CA4CA7CA9
SCHEMBL13286161 0.76 HDAC1 (0.35) FPR3FPR2
SCHEMBL1743885 0.76 HDAC1 (0.35) FPR3FPR2
SCHEMBL2546511 0.75 PPARG (0.35) CA1CA2CA4CA7CA9
SCHEMBL2548962 0.75 PPARG (0.37) CA1CA2CA4CA7CA9
SCHEMBL2548965 0.75 PPARG (0.37) CA1CA2CA4CA7CA9
SCHEMBL2550279 0.74 PPARG (0.34) CA1CA2CA4CA7CA9

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2387570-A1 FLUOROISOQUINOLINE SUBSTITUTED THIAZOLE COMPOUNDS AND METHODS OF USE Amgen, Inc (US) 2011-11-23 EP disclosed
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 OGA 3177/4885EDNRA 3702/4885LIPG 778/4885

“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.