SCHEMBL14433713

SCHEMBL14433713

CC(C)CC(NC(=O)C(CCC(=O)O)NC(=O)OCc1ccccc1)C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSK P43235 6/20 0.64
CAPN1 P07384 2/20 0.61
CTSL P07711 4/20 0.60
CTSB P07858 3/20 0.60
CTSS P25774 2/20 0.60
MME P08473 1/20 0.60
ECE1 P42892 1/20 0.60
CAPN2 P17655 1/20 0.59

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
SCHEMBL13589982 1.00 CTSK (0.64) CTSKCAPN1CTSLCTSBCTSS
SCHEMBL5827200 0.95 CTSK (0.67) CTSKCAPN1CTSLCTSBCTSS
SCHEMBL31094975 0.95 CTSK (0.67) CTSKCAPN1CTSLCTSBCTSS
SCHEMBL30643745 0.91 CTSK (0.64) CTSKCAPN1CTSLCTSBCTSS
SCHEMBL31729514 0.91 CAPN1 (0.68) CTSKCAPN1CTSLCTSBCTSS
SCHEMBL16770328 0.91 CTSK (0.65) CTSKCAPN1CTSLCTSBCTSS
SCHEMBL25406813 0.91 CTSK (0.77) CTSKCAPN1CTSLCTSBCTSS
SCHEMBL8823918 0.91 CTSK (0.77) CTSKCAPN1CTSLCTSBCTSS
SCHEMBL20770085 0.91 CTSK (0.77) CTSKCAPN1CTSLCTSBCTSS
SCHEMBL9697579 0.91 MME (0.65) CTSLMMEECE1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070196859-A1 Novel antibacterial agents THERAVANCE BIOPHARMA ANTIBIOTICS IP, LLC 2007-08-23 US disclosed
US-20070196859-A1 Novel antibacterial agents THERAVANCE BIOPHARMA ANTIBIOTICS IP, LLC 2007-08-23 US disclosed
US-20070154948-A1 Novel antibacterial agents THERAVANCE BIOPHARMA ANTIBIOTICS IP, LLC 2007-07-05 US disclosed
US-20070154948-A1 Novel antibacterial agents THERAVANCE BIOPHARMA ANTIBIOTICS IP, LLC 2007-07-05 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 (2 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-20070196859-A1 Novel antibacterial agents ENGASE, PEPD, PGLS CTSK 622/4885CAPN1 1267/4885CTSL 137/4885
US-20070154948-A1 Novel antibacterial agents ENGASE, PGLS, PEPD CTSK 748/4885CAPN1 1236/4885CTSL 123/4885

“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.