SCHEMBL142267

SCHEMBL142267

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

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSB P07858 3/20 0.50
PSMB1 P20618 1/20 0.50
PSMB5 P28074 1/20 0.50
PSMB2 P49721 1/20 0.50
CTSK P43235 6/20 0.47
SYK P43405 1/20 0.46
CTSL P07711 2/20 0.46
CTSS P25774 2/20 0.46
ELANE P08246 1/20 0.46
ATM Q13315 1/20 0.45
CTRB1 P17538 2/20 0.45
PPARG P37231 1/20 0.45
PPARA Q07869 1/20 0.45
PRTN3 P24158 1/20 0.44

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
SCHEMBL141334 0.86 CTSL (0.48) CTSBCTSKSYKCTSLCTSS
SCHEMBL2776839 0.84 CTSK (0.55) CTSBCTSKCTSLCTSSPPARG
SCHEMBL42878 0.84 CTSK (0.55) CTSBCTSKCTSLCTSSPPARG
SCHEMBL27857330 0.84 CTSK (0.55) CTSBCTSKCTSLCTSSPPARG
SCHEMBL143177 0.83 SYK (0.50) CTSBPSMB1PSMB5PSMB2CTSK
SCHEMBL3291391 0.83 PSMB1 (0.67) CTSBPSMB1PSMB5PSMB2CTSK
SCHEMBL3295285 0.83 PSMB1 (0.67) CTSBPSMB1PSMB5PSMB2CTSK
SCHEMBL3327332 0.83 PSMB1 (0.67) CTSBPSMB1PSMB5PSMB2CTSK
SCHEMBL3291861 0.82 CTSB (0.58) CTSBPSMB1PSMB5PSMB2CTSK
SCHEMBL3291929 0.82 CTSB (0.58) CTSBPSMB1PSMB5PSMB2CTSK

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 CTSB 475/4885PSMB1 2505/4885PSMB5 2450/4885

“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.