SCHEMBL4022443

SCHEMBL4022443

O=C(N[C@H](CO)C(=O)N(CCc1ccccc1)Cc1cc(C(=O)O)ccc1F)OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 3/20 0.41
LPAR1 Q92633 1/20 0.39
LPAR5 Q9H1C0 1/20 0.39
TACR1 P25103 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 1/20 0.39
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
CTSS P25774 1/20 0.39
CTSK P43235 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
SCHEMBL4022440 1.00 CASP1 (0.41) CASP1LPAR1LPAR5TACR1KDM4E
SCHEMBL4027455 0.92 LPAR1 (0.43) LPAR1LPAR5TACR1KDM4EMEN1
SCHEMBL4027452 0.92 LPAR1 (0.43) LPAR1LPAR5TACR1KDM4EMEN1
SCHEMBL4023412 0.86 MEN1 (0.48) MEN1ALDH1A1KMT2ACTSLCTSB
SCHEMBL8327721 0.82 CYP3A4 (0.43) ALDH1A1CTSLCTSB
SCHEMBL4026197 0.78 MEN1 (0.57) MEN1KMT2ACTSLCTSBCTSS
SCHEMBL4023426 0.78 CASP1 (0.42) CASP1TACR1KDM4EMEN1ALDH1A1
SCHEMBL4026193 0.78 MEN1 (0.57) MEN1KMT2ACTSLCTSBCTSS
SCHEMBL4023417 0.78 CASP1 (0.42) CASP1TACR1KDM4EMEN1ALDH1A1
SCHEMBL8183264 0.78 CTSL (0.40) KDM4EMEN1ALDH1A1KMT2ACTSL

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 CASP1 1725/4885LPAR1 3849/4885LPAR5 4461/4885

“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.