SCHEMBL116395

SCHEMBL116395

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

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSK P43235 8/20 0.56
CTSB P07858 4/20 0.53
CTSL P07711 4/20 0.50
CTSH P09668 1/20 0.50
PSMB1 P20618 1/20 0.50
PSMB5 P28074 1/20 0.50
PSMB2 P49721 1/20 0.50
ATM Q13315 1/20 0.48
CTRB1 P17538 2/20 0.48

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
SCHEMBL3397821 0.89 CTSK (0.55) CTSKCTSBCTSLCTSHPSMB1
SCHEMBL20953619 0.88 CTSK (0.55) CTSKCTSBCTSLCTSHPSMB1
SCHEMBL14285574 0.88 CTSK (0.55) CTSKCTSBCTSLCTSHPSMB1
SCHEMBL8527341 0.87 CTSK (0.53) CTSKCTSBCTSLCTSHPSMB1
SCHEMBL11888311 0.87 CTSK (0.53) CTSKCTSBCTSLCTSHPSMB1
SCHEMBL14527881 0.86 CTSK (0.65) CTSKCTSBCTSLCTSH
SCHEMBL7417702 0.86 CTSK (0.65) CTSKCTSBCTSLCTSH
SCHEMBL115059 0.85 CTSL (0.52) CTSBCTSL
SCHEMBL7732224 0.85 CTSK (0.63) CTSKCTSBCTSLCTRB1
SCHEMBL5275932 0.85 CTSK (0.59) CTSKCTSBCTSLCTSHPSMB1

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 CTSK 1607/4885CTSB 475/4885CTSL 1109/4885

“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.