SCHEMBL3930628

SCHEMBL3930628

CS(=O)(=O)c1ccc(CNCC=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.44
NR1H4 Q96RI1 1/20 0.44
CA1 P00915 7/20 0.42
CA2 P00918 7/20 0.42
TGM2 P21980 1/20 0.41
ENPP2 Q13822 1/20 0.41
CA12 O43570 4/20 0.41
CA9 Q16790 4/20 0.41
AKR1C3 P42330 1/20 0.40
NAMPT P43490 1/20 0.40
CA4 P22748 2/20 0.38
TSHR P16473 1/20 0.38
PTGS2 P35354 1/20 0.38
CNR1 P21554 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
SCHEMBL14508573 0.81 EPHX2 (0.46) EPHX2NR1H4CA1CA2ENPP2
SCHEMBL21165326 0.79 CA2 (0.66) CA1CA2CA12CA9CA4
SCHEMBL568156 0.79 ADH1B (0.53) EPHX2NR1H4CA1CA2TGM2
SCHEMBL1428902 0.78 ENPP2 (0.48) EPHX2NR1H4ENPP2AKR1C3PTGS2
SCHEMBL4273112 0.78 CA2 (0.47) EPHX2NR1H4CA1CA2CA12
SCHEMBL14273159 0.76 CHRM2 (0.53) CA1CA2CA12CA9
SCHEMBL1251842 0.76 EPHX2 (0.49) EPHX2NR1H4CA1CA2ENPP2
SCHEMBL9283676 0.75 CA1 (0.54) EPHX2NR1H4CA1CA2ENPP2
SCHEMBL17795624 0.75 HRH4 (0.56) CA1CA2CA12CA9
SCHEMBL354765 0.75 SLC2A1 (0.46) EPHX2NR1H4CA1CA2CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2044083-A1 ANTIVIRAL AGENTS GENELABS TECHNOLOGIES, INC. (US) 2009-04-08 EP claimed
US-20080051384-A1 ANTIVIRAL AGENTS GENELABS TECHNOLOGIES, INC. 2008-02-28 US claimed
WO-2008008912-A1 ANTIVIRAL AGENTS GENELABS TECHNOLOGIES, INC. (US) 2008-01-17 WO claimed
WO-2008008907-A2 ANTIVIRAL AGENTS GENELABS TECHNOLOGIES, INC. (US) 2008-01-17 WO claimed
US-20060211698-A1 Bicyclic heteroaryl derivatives for treating viruses GENELABS, INC. 2006-09-21 US claimed
EP-2049536-A2 POLYCYCLIC VIRAL INHIBITORS GENELABS TECHNOLOGIES, INC. (US) 2009-04-22 EP disclosed
EP-2044083-A1 ANTIVIRAL AGENTS GENELABS TECHNOLOGIES, INC. (US) 2009-04-08 EP disclosed
US-20080051384-A1 ANTIVIRAL AGENTS GENELABS TECHNOLOGIES, INC. 2008-02-28 US disclosed
US-20080045498-A1 POLYCYCLIC VIRAL INHIBITORS GENELABS TECHNOLOGIES, INC. 2008-02-21 US disclosed
WO-2008011521-A2 POLYCYCLIC VIRAL INHIBITORS GENELABS TECHNOLOGIES, INC. (US) 2008-01-24 WO disclosed
WO-2008008907-A2 ANTIVIRAL AGENTS GENELABS TECHNOLOGIES, INC. (US) 2008-01-17 WO disclosed
WO-2008008912-A1 ANTIVIRAL AGENTS GENELABS TECHNOLOGIES, INC. (US) 2008-01-17 WO disclosed
US-20060211698-A1 Bicyclic heteroaryl derivatives for treating viruses GENELABS, INC. 2006-09-21 US 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 (3 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-20080045498-A1 POLYCYCLIC VIRAL INHIBITORS EIF2AK2, ZC3HAV1, MAVS EPHX2 3249/4885NR1H4 1584/4885CA1 4504/4885
US-20060211698-A1 Bicyclic heteroaryl derivatives for treating viruses HAVCR2, ZC3HAV1, SARS1 EPHX2 1872/4885NR1H4 162/4885CA1 4734/4885
US-20080051384-A1 ANTIVIRAL AGENTS EIF2AK2, MAVS, ZC3HAV1 EPHX2 3418/4885NR1H4 2044/4885CA1 4754/4885

“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.