SCHEMBL143177

SCHEMBL143177

CC(C)(C)C(C[C@@H](CC=O)NC(=O)OCc1ccccc1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.50
CTRB1 P17538 2/20 0.49
CTSK P43235 6/20 0.45
CTSS P25774 3/20 0.44
CTSL P07711 2/20 0.44
CTSB P07858 2/20 0.44
ELANE P08246 2/20 0.44
PSMB1 P20618 1/20 0.44
PSMB5 P28074 1/20 0.44
PSMB2 P49721 1/20 0.44
ATM Q13315 2/20 0.44
PRTN3 P24158 1/20 0.42
MBOAT4 Q96T53 1/20 0.41

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
SCHEMBL16146358 0.87 SYK (0.53) SYKCTRB1CTSKCTSSCTSL
SCHEMBL5196294 0.87 SYK (0.53) SYKCTRB1CTSKCTSSCTSL
SCHEMBL143122 0.87 SYK (0.53) SYKCTRB1CTSKCTSSCTSL
SCHEMBL142267 0.83 CTSB (0.50) SYKCTRB1CTSKCTSSCTSL
SCHEMBL142589 0.83 SYK (0.49) SYKCTRB1CTSKCTSSCTSL
SCHEMBL42878 0.82 CTSK (0.55) CTSKCTSSCTSLCTSB
SCHEMBL2776839 0.82 CTSK (0.55) CTSKCTSSCTSLCTSB
SCHEMBL27857330 0.82 CTSK (0.55) CTSKCTSSCTSLCTSB
SCHEMBL29957249 0.81 SYK (0.60) SYKCTRB1CTSKCTSSCTSL
SCHEMBL29955027 0.81 SYK (0.60) SYKCTRB1CTSKCTSSCTSL

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-20120058989-A1 ANTIBACTERIAL FLUOROQUINOLONE ANALOGS ACHAOGEN, INC. (US) 2012-03-08 US disclosed
EP-2250171-A2 ANTIBACTERIAL FLUOROQUINOLONE ANALOGS Achaogen, Inc. (US) 2010-11-17 EP disclosed
WO-2009137130-A2 ANTIBACTERIAL FLUOROQUINOLONE ANALOGS ACHAOGEN, INC. (US) 2009-11-12 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-20120058989-A1 ANTIBACTERIAL FLUOROQUINOLONE ANALOGS RECQL, BLVRB, NQO2 SYK 4291/4885CTRB1 163/4885CTSK 1607/4885

“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.