SCHEMBL116237

SCHEMBL116237

CCOC(=O)c1cn(C2CC2)c2c(/C=C\CC3[C@H](NC(=O)OC(C)(C)C)CCN3C(=O)OC(C)(C)C)c(F)c(F)cc2c1=O

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.45
TOP2A P11388 3/20 0.35
TOP2B Q02880 3/20 0.35
STAT3 P40763 1/20 0.35
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
KDM4E B2RXH2 4/20 0.33
ALDH1A1 P00352 3/20 0.33
HPGD P15428 3/20 0.33
HSD17B10 Q99714 3/20 0.33
KCNH2 Q12809 3/20 0.33
ATM Q13315 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 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
SCHEMBL116277 1.00 ADRB2 (0.45) ADRB2TOP2ATOP2BSTAT3KMT2A
SCHEMBL143967 1.00 ADRB2 (0.45) ADRB2TOP2ATOP2BSTAT3KMT2A
SCHEMBL141750 1.00 ADRB2 (0.45) ADRB2TOP2ATOP2BSTAT3KMT2A
SCHEMBL146707 0.90 ADRB2 (0.46) ADRB2TOP2ATOP2BSTAT3KMT2A
SCHEMBL145085 0.90 ADRB2 (0.46) ADRB2TOP2ATOP2BSTAT3KMT2A
SCHEMBL116399 0.90 ADRB2 (0.44) ADRB2TOP2ATOP2BSTAT3KMT2A
SCHEMBL144893 0.87 ADRB2 (0.44) ADRB2TOP2ATOP2BSTAT3KMT2A
SCHEMBL144925 0.87 ADRB2 (0.44) ADRB2TOP2ATOP2BSTAT3KMT2A
SCHEMBL144356 0.87 ADRB2 (0.44) ADRB2TOP2ATOP2BSTAT3KMT2A
SCHEMBL143930 0.87 ADRB2 (0.44) ADRB2TOP2ATOP2BSTAT3KMT2A

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-20120058989-A1 ANTIBACTERIAL FLUOROQUINOLONE ANALOGS ACHAOGEN, INC. (US) 2012-03-08 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-20120058989-A1 ANTIBACTERIAL FLUOROQUINOLONE ANALOGS RECQL, BLVRB, NQO2 ADRB2 702/4885TOP2A 125/4885TOP2B 31/4885

“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.