SCHEMBL4022449

SCHEMBL4022449

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

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.43
CTSK P43235 4/20 0.42
CTSL P07711 1/20 0.42
CTSB P07858 1/20 0.42
CTSS P25774 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
LMNA P02545 1/20 0.41
CYP3A4 P08684 2/20 0.40
ALDH1A1 P00352 2/20 0.40
TSHR P16473 1/20 0.40
CASP1 P29466 1/20 0.40
PTGER1 P34995 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ELANE P08246 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
SCHEMBL4022451 1.00 ATM (0.43) ATMCTSKCTSLCTSBCTSS
SCHEMBL4030676 0.87 TACR1 (0.48) CTSKCTSLCTSBCTSSALDH1A1
SCHEMBL4023426 0.87 CASP1 (0.42) CTSKMEN1KMT2AALDH1A1CASP1
SCHEMBL4023417 0.87 CASP1 (0.42) CTSKMEN1KMT2AALDH1A1CASP1
SCHEMBL4030680 0.87 TACR1 (0.48) CTSKCTSLCTSBCTSSALDH1A1
SCHEMBL4021273 0.87 CTSK (0.46) CTSKCTSLCTSBCTSSCASP1
SCHEMBL6954029 0.86 CASP1 (0.44) CASP1
SCHEMBL6954041 0.86 CASP1 (0.44) CASP1
SCHEMBL4027155 0.81 PTGER1 (0.42) CTSKCTSLCTSBCTSSLMNA
SCHEMBL4022442 0.81 MEN1 (0.61) CTSKCTSLCTSBCTSSMEN1

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 ATM 4007/4885CTSK 169/4885CTSL 235/4885

“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.