SCHEMBL5451360

SCHEMBL5451360

O=C(O)c1cc(CSCc2cc3ccccc3s2)on1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 3/20 0.43
BCL2L1 Q07817 1/20 0.42
FDPS P14324 1/20 0.42
KDM4C Q9H3R0 1/20 0.41
ALDH1A1 P00352 1/20 0.41
ASIC3 Q9UHC3 1/20 0.40
LOXL2 Q9Y4K0 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA4 P22748 1/20 0.40
CA5A P35218 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
CA5B Q9Y2D0 1/20 0.40
GLS O94925 2/20 0.39
AKR1B1 P15121 1/20 0.38
AGXT P21549 1/20 0.38
ADRB2 P07550 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
SCHEMBL5451508 0.87 HDAC6 (0.47) CYP2A6ASIC3LOXL2GLSADRB2
Hydrochloric Acid SCHEMBL17289175 0.83 CYP2A6 (0.46) CYP2A6BCL2L1FDPSKDM4CALDH1A1
SCHEMBL15931941 0.80 AGXT (0.47) CYP2A6BCL2L1FDPSKDM4CALDH1A1
SCHEMBL15932023 0.78 ALDH1A1 (0.46) FDPSALDH1A1PTPN1
Hydrochloric Acid SCHEMBL17288664 0.76 FDPS (0.46) FDPSALDH1A1
SCHEMBL5638893 0.76 SMN1; SMN2 (0.55) CYP2A6BCL2L1KDM4CASIC3LOXL2
SCHEMBL17289172 0.73 CYP2A6 (0.46) CYP2A6BCL2L1KDM4CASIC3LOXL2
SCHEMBL19459379 0.70 TYR (0.41) FDPSALDH1A1PTPN1
SCHEMBL631264 0.67 CYP2A6 (0.61) CYP2A6BCL2L1KDM4CASIC3LOXL2
SCHEMBL29534459 0.67 CYP2A6 (0.61) CYP2A6BCL2L1KDM4CASIC3LOXL2

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 CYP2A6 3923/4885BCL2L1 2520/4885FDPS 70/4885

“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.