SCHEMBL142589

SCHEMBL142589

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

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.49
CTRB1 P17538 2/20 0.48
CTSS P25774 10/20 0.46
CTSL P07711 9/20 0.46
CTSB P07858 5/20 0.46
CTSK P43235 7/20 0.44
ELANE P08246 1/20 0.43
ATM Q13315 1/20 0.43

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 0.86 SYK (0.53) SYKCTRB1CTSSCTSLCTSB
SCHEMBL5196294 0.86 SYK (0.53) SYKCTRB1CTSSCTSLCTSB
SCHEMBL143122 0.86 SYK (0.53) SYKCTRB1CTSSCTSLCTSB
SCHEMBL143177 0.83 SYK (0.50) SYKCTRB1CTSSCTSLCTSB
SCHEMBL16336595 0.82 SYK (0.59) SYKCTRB1CTSSCTSLCTSB
SCHEMBL2776839 0.81 CTSK (0.55) CTSSCTSLCTSBCTSK
SCHEMBL42878 0.81 CTSK (0.55) CTSSCTSLCTSBCTSK
SCHEMBL27857330 0.81 CTSK (0.55) CTSSCTSLCTSBCTSK
SCHEMBL142588 0.78 SYK (0.55) SYKCTRB1CTSSCTSLCTSB
SCHEMBL116476 0.78 CTRB1 (0.51) SYKCTRB1CTSSCTSLCTSB

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 SYK 4291/4885CTRB1 163/4885CTSS 888/4885

“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.