SCHEMBL5453461

SCHEMBL5453461

O=C(O)c1cc(CSCc2cccc(C(F)(F)F)c2)on1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 6/20 0.47
DAO P14920 2/20 0.43
NR4A2 P43354 2/20 0.43
GFER P55789 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
TRPV1 Q8NER1 1/20 0.42
MAPT P10636 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL5454496 0.87 HDAC6 (0.47) EPHX1LMNAHTTTRPV1MAPT
SCHEMBL17288592 0.85 NR4A2 (0.46) NR4A2SMN1; SMN2LMNAMAPK1HTT
SCHEMBL15932023 0.83 ALDH1A1 (0.46) SMN1; SMN2MAPK1ALDH1A1
SCHEMBL15931901 0.81 EGLN1 (0.52) NR4A2MEN1KMT2A
SCHEMBL23927275 0.77 TAAR1 (0.58) EPHX1DAOTRPV1ALDH1A1
Hydrochloric Acid SCHEMBL17288664 0.75 FDPS (0.46) EPHX1DAOSMN1; SMN2LMNAHTT
SCHEMBL5445311 0.74 PPARD (0.53) SMN1; SMN2LMNAMEN1KMT2A
SCHEMBL15931839 0.74 NPC1 (0.64) MEN1KMT2A
SCHEMBL15932078 0.72 SRD5A2 (0.50) SMN1; SMN2LMNAMAPK1HTT
SCHEMBL11671597 0.71 NR4A2 (0.44) EPHX1DAONR4A2MAPTMEN1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070043062-A1 Isoxazoles as peptide deformylase inhibitors ARPIDA A/S (DK) 2007-02-22 US claimed
EP-1664000-A1 ISOXAZOLES AS PEPTIDE DEFORMYLASE INHIBITORS Arpida A/S (DK) 2006-06-07 EP claimed
WO-2005026133-A1 ISOXAZOLES AS PEPTIDE DEFORMYLASE INHIBITORS ARPIDA A/S (DK) 2005-03-24 WO claimed
US-20070043062-A1 Isoxazoles as peptide deformylase inhibitors ARPIDA A/S (DK) 2007-02-22 US disclosed
US-20070043062-A1 Isoxazoles as peptide deformylase inhibitors ARPIDA A/S (DK) 2007-02-22 US disclosed
US-20070043062-A1 Isoxazoles as peptide deformylase inhibitors ARPIDA A/S (DK) 2007-02-22 US disclosed
EP-1664000-A1 ISOXAZOLES AS PEPTIDE DEFORMYLASE INHIBITORS Arpida A/S (DK) 2006-06-07 EP disclosed
WO-2005026133-A1 ISOXAZOLES AS PEPTIDE DEFORMYLASE INHIBITORS ARPIDA A/S (DK) 2005-03-24 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-20070043062-A1 Isoxazoles as peptide deformylase inhibitors PDF, MRPL21, PEPD EPHX1 1420/4885DAO 476/4885NR4A2 4036/4885

“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.