SCHEMBL4027455

SCHEMBL4027455

O=C(N[C@H](CO)C(=O)N(Cc1ccccc1)Cc1cc(C(=O)O)ccc1F)OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 2/20 0.43
LPAR5 Q9H1C0 2/20 0.43
TACR1 P25103 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40
CTSS P25774 1/20 0.40
CTSK P43235 1/20 0.40
LMNA P02545 1/20 0.40
KYNU Q16719 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
SCHEMBL4027452 1.00 LPAR1 (0.43) LPAR1LPAR5TACR1MEN1KMT2A
SCHEMBL4022443 0.92 CASP1 (0.41) LPAR1LPAR5TACR1MEN1KMT2A
SCHEMBL4022440 0.92 CASP1 (0.41) LPAR1LPAR5TACR1MEN1KMT2A
SCHEMBL4023412 0.88 MEN1 (0.48) MEN1KMT2AALDH1A1CTSLCTSB
SCHEMBL4026197 0.80 MEN1 (0.57) MEN1KMT2ACTSLCTSBCTSS
SCHEMBL4026193 0.80 MEN1 (0.57) MEN1KMT2ACTSLCTSBCTSS
SCHEMBL4023426 0.80 CASP1 (0.42) TACR1MEN1KMT2AKDM4EALDH1A1
SCHEMBL4023417 0.80 CASP1 (0.42) TACR1MEN1KMT2AKDM4EALDH1A1
SCHEMBL8183264 0.80 CTSL (0.40) MEN1KMT2AKDM4EALDH1A1CTSL
SCHEMBL8183267 0.80 CTSL (0.40) MEN1KMT2AKDM4EALDH1A1CTSL

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 LPAR1 3849/4885LPAR5 4461/4885TACR1 3626/4885

“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.