SCHEMBL4021273

SCHEMBL4021273

CCC[C@@H](NC(=O)OCc1ccccc1)C(=O)CNCc1cc(C(=O)O)ccc1F

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSK P43235 6/20 0.46
CTSL P07711 4/20 0.43
CTSS P25774 4/20 0.43
TLR2 O60603 2/20 0.42
CTSB P07858 4/20 0.41
CASP1 P29466 2/20 0.41
TACR1 P25103 1/20 0.39
BACE1 P56817 1/20 0.39
SIRT2 Q8IXJ6 1/20 0.39
SIRT1 Q96EB6 1/20 0.39

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
SCHEMBL4030680 0.90 TACR1 (0.48) CTSKCTSLCTSSCTSBCASP1
SCHEMBL4030676 0.90 TACR1 (0.48) CTSKCTSLCTSSCTSBCASP1
SCHEMBL4023417 0.90 CASP1 (0.42) CTSKCASP1TACR1
SCHEMBL4023426 0.90 CASP1 (0.42) CTSKCASP1TACR1
SCHEMBL6954041 0.88 CASP1 (0.44) CASP1
SCHEMBL6954029 0.88 CASP1 (0.44) CASP1
SCHEMBL4022449 0.87 ATM (0.43) CTSKCTSLCTSSCTSBCASP1
SCHEMBL4022451 0.87 ATM (0.43) CTSKCTSLCTSSCTSBCASP1
SCHEMBL4021266 0.82 MEN1 (0.49) CTSKCTSLCTSSCTSB
SCHEMBL4027155 0.78 PTGER1 (0.42) CTSKCTSLCTSSCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1171428-B1 FAB I INHIBITORS AFFINIUM PHARM INC (CA) 2009-06-17 EP disclosed
EP-1171428-A4 FAB I INHIBITORS AFFINIUM PHARM INC (CA) 2004-09-15 EP disclosed
US-6765005-B2 BACTERICIDES; ENZYME INHIBITORS AFFINIUM PHARMACEUTICALS, INC. (CA) 2004-07-20 US disclosed
US-20030139377-A1 Fab I inhibitors SMITHKLINE BEECHAM CORPORATION 2003-07-24 US disclosed
US-6503903-B1 Administering 3-oxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-7-carboxamide derivative SMITHKLINE BEECHAM CORPORATION 2003-01-07 US disclosed
EP-1171428-A1 FAB I INHIBITORS SmithKline Beecham Corporation (US) 2002-01-16 EP disclosed
WO-2000063187-A1 FAB I INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2000-10-26 WO 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-20030139377-A1 Fab I inhibitors SERPINB1, TFPI, TFPI2 CTSK 169/4885CTSL 235/4885CTSS 265/4885

“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.