SCHEMBL116393

SCHEMBL116393

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

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTRB1 P17538 2/20 0.56
SYK P43405 1/20 0.50
ATM Q13315 1/20 0.49
ALDH1A1 P00352 3/20 0.48
ALOX15 P16050 1/20 0.48
CTSK P43235 3/20 0.47
CTSL P07711 4/20 0.46
CTSS P25774 3/20 0.46
ELANE P08246 1/20 0.46
CTSB P07858 1/20 0.46
CYP3A4 P08684 1/20 0.45
TSHR P16473 1/20 0.45

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
SCHEMBL1605999 0.89 CTRB1 (0.58) CTRB1SYKATMCTSK
SCHEMBL5198016 0.89 CTRB1 (0.58) CTRB1SYKATMCTSK
SCHEMBL1606000 0.89 CTRB1 (0.58) CTRB1SYKATMCTSK
SCHEMBL6428794 0.88 CTRB1 (0.54) CTRB1SYKATMALDH1A1ALOX15
SCHEMBL6428792 0.88 CTRB1 (0.54) CTRB1SYKATMALDH1A1ALOX15
SCHEMBL31316311 0.87 CTRB1 (0.53) CTRB1SYKATMALDH1A1CTSK
SCHEMBL21906489 0.86 CTRB1 (0.58) CTRB1SYKATMCTSKCTSL
SCHEMBL15271597 0.86 CTRB1 (0.58) CTRB1SYKATMCTSKCTSL
SCHEMBL28366233 0.86 CTRB1 (0.58) CTRB1SYKATMCTSKCTSL
SCHEMBL14288626 0.86 CTRB1 (0.58) CTRB1SYKATMALDH1A1ALOX15

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 CTRB1 163/4885SYK 4291/4885ATM 3737/4885

“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.