SCHEMBL4024746

SCHEMBL4024746

CC(C)(C)OC(=O)c1ccc(F)c(CNCc2ccccc2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.47
SLC7A5 Q01650 1/20 0.44
ATM Q13315 1/20 0.44
HDAC8 Q9BY41 2/20 0.42
HDAC6 Q9UBN7 2/20 0.42
CA1 P00915 2/20 0.41
CA12 O43570 1/20 0.41
CA7 P43166 1/20 0.41
CA14 Q9ULX7 1/20 0.41
KDM4E B2RXH2 3/20 0.41
HDAC1 Q13547 2/20 0.41
HASPIN Q8TF76 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC2 Q92769 1/20 0.40
NCOR2 Q9Y618 1/20 0.40
LMNA P02545 1/20 0.39
RAB9A P51151 1/20 0.39
CA2 P00918 1/20 0.39
ALDH1A1 P00352 2/20 0.39
HTT P42858 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
SCHEMBL4025027 0.90 KMT2A (0.50) SLC7A5ATMCA1KDM4EHASPIN
SCHEMBL4022762 0.82 GABRA1 (0.39) SLC7A5CA1CA12CA14CA2
SCHEMBL4024250 0.82 ALDH1A1 (0.51) SMN1; SMN2HDAC8HDAC6KDM4EHDAC1
SCHEMBL4024612 0.81 SYK (0.40) SMN1; SMN2SLC7A5ATMHDAC1HDAC3
SCHEMBL337290 0.80 IDO1 (0.39) SLC7A5KDM4EALDH1A1TDP1
SCHEMBL8738720 0.79 GABRA1 (0.43) SLC7A5CA1CA12CA7CA14
SCHEMBL5972545 0.78 MAOA (0.44) CA1CA12CA2TDP1
SCHEMBL16709810 0.77 CA1 (0.52) SMN1; SMN2HDAC8HDAC6CA1KDM4E
SCHEMBL5972486 0.77 MAOA (0.46) CA1CA12KDM4ECA2TDP1
SCHEMBL336891 0.76 GABRA1 (0.41) SLC7A5CA1CA12CA14CA2

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 SMN1; SMN2 4226/4885SLC7A5 2166/4885ATM 4007/4885

“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.