SCHEMBL4027155

SCHEMBL4027155

O=C(CNCc1cc(C(=O)O)ccc1F)CNC(=O)OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 1/20 0.42
HDAC1 Q13547 2/20 0.42
HDAC2 Q92769 2/20 0.42
HDAC3 O15379 1/20 0.42
KCNA5 P22460 1/20 0.42
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HTT P42858 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
TBXA2R P21731 1/20 0.39
PLAU P00749 1/20 0.38
MRGPRX4 Q96LA9 1/20 0.38

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
SCHEMBL4024612 0.87 SYK (0.40) HDAC1HDAC2HDAC3KCNA5LMNA
SCHEMBL4022451 0.81 ATM (0.43) PTGER1LMNAALDH1A1CTSLCTSB
SCHEMBL4030676 0.81 TACR1 (0.48) ALDH1A1CTSLCTSBCTSSCTSK
SCHEMBL4023417 0.81 CASP1 (0.42) PTGER1ALDH1A1CTSK
SCHEMBL4023426 0.81 CASP1 (0.42) PTGER1ALDH1A1CTSK
SCHEMBL4030680 0.81 TACR1 (0.48) ALDH1A1CTSLCTSBCTSSCTSK
SCHEMBL4027153 0.80 CTSL (0.51) PTGER1LMNASMN1; SMN2HTTNPSR1
SCHEMBL4021273 0.78 CTSK (0.46) CTSLCTSBCTSSCTSK
SCHEMBL4024250 0.77 ALDH1A1 (0.51) PTGER1HDAC1SMN1; SMN2NPSR1ALDH1A1
SCHEMBL6741072 0.77 LMNA (0.65) LMNASMN1; SMN2HTTALDH1A1CTSL

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 PTGER1 2357/4885HDAC1 109/4885HDAC2 857/4885

“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.