SCHEMBL115059

SCHEMBL115059

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

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTSL P07711 12/20 0.52
ALDH1A1 P00352 1/20 0.46
ALOX15 P16050 1/20 0.46
CTSB P07858 3/20 0.46

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
SCHEMBL141333 0.85 SYK (0.49) CTSLCTSB
SCHEMBL141332 0.85 SYK (0.49) CTSLCTSB
SCHEMBL116395 0.85 CTSK (0.56) CTSLCTSB
SCHEMBL27626645 0.80 FOLH1 (0.57) CTSLALDH1A1ALOX15CTSB
SCHEMBL116479 0.80 FOLH1 (0.57) CTSLALDH1A1ALOX15CTSB
SCHEMBL27646832 0.79 ALDH1A1 (0.60) CTSLALDH1A1ALOX15CTSB
SCHEMBL5964588 0.79 ALDH1A1 (0.60) CTSLALDH1A1ALOX15CTSB
SCHEMBL10054772 0.78 ALDH1A1 (0.56) CTSLALDH1A1ALOX15CTSB
SCHEMBL141334 0.78 CTSL (0.48) CTSLCTSB
SCHEMBL20953619 0.77 CTSK (0.55) CTSLCTSB

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 CTSL 1109/4885ALDH1A1 1678/4885ALOX15 3488/4885

“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.