SCHEMBL3661917

SCHEMBL3661917

Cc1cc(OS(=O)(=O)C(F)(F)F)cc(=O)n1C(C)c1ccccn1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.37
BRD4 O60885 7/20 0.36
PDE4A P27815 2/20 0.33
PDE4C Q08493 2/20 0.33
PDE4D Q08499 2/20 0.33
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
MMP2 P08253 1/20 0.32
MMP9 P14780 1/20 0.32
KMT2A Q03164 1/20 0.32
ADORA2A P29274 1/20 0.31
ADORA1 P30542 1/20 0.31

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
SCHEMBL1861393 0.75 NOX4 (0.43) BRD4CYP3A4
SCHEMBL27355627 0.73 KEAP1 (0.43) CYP1A2CYP3A4KMT2A
SCHEMBL27355422 0.73 KEAP1 (0.43) CYP1A2CYP3A4KMT2A
SCHEMBL1860045 0.72 NPSR1 (0.40) PTGS2PDE4APDE4CPDE4DKMT2A
SCHEMBL1773119 0.72 CXCR2 (0.46) PDE4APDE4CPDE4DCYP1A2CYP3A4
SCHEMBL24644926 0.69 TP53 (0.42) BRD4CYP1A2CYP3A4KMT2A
SCHEMBL8896304 0.69 CYP1A2 (0.43) CYP1A2KMT2A
SCHEMBL14242958 0.69 SLC6A3 (0.56) PDE4APDE4CPDE4DCYP1A2CYP3A4
SCHEMBL28787425 0.68 CXCR2 (0.51) PDE4APDE4CPDE4DCYP1A2CYP3A4
SCHEMBL17292461 0.67 MEN1 (0.41) CYP3A4KMT2AADORA2AADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2231653-B1 ANTIBACTERIAL CONDENSED THIAZOLES BIOTA EUROPE LTD (GB) 2013-04-03 EP disclosed
US-8299065-B2 Antibacterial condensed thiazoles BIOTA EUROPE LTD. (GB) 2012-10-30 US disclosed
US-20100305067-A1 ANTIBACTERIAL CONDENSED THIAZOLES BIOTA EUROPE LTD (GB) 2010-12-02 US disclosed
EP-2231653-A1 ANTIBACTERIAL CONDENSED THIAZOLES Biota Europe Ltd (GB) 2010-09-29 EP disclosed
WO-2009074812-A1 ANTIBACTERIAL CONDENSED THIAZOLES PROLYSIS LTD (GB) 2009-06-18 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-20100305067-A1 ANTIBACTERIAL CONDENSED THIAZOLES NEK6, NEK1, TXK PTGS2 3527/4885BRD4 478/4885PDE4A 4761/4885

“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.