SCHEMBL4573368

SCHEMBL4573368

[CH2]NCc1ccc(S(C)(=O)=O)cc1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.47
NR1H4 Q96RI1 1/20 0.47
ENPP2 Q13822 2/20 0.45
PTGS2 P35354 7/20 0.42
PTGS1 P23219 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
TGM2 P21980 1/20 0.41
DAO P14920 1/20 0.41
CNR1 P21554 1/20 0.40

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
SCHEMBL1251842 0.81 EPHX2 (0.49) EPHX2NR1H4ENPP2PTGS2CA12
SCHEMBL1253851 0.79 EPHX2 (0.47) EPHX2NR1H4ENPP2PTGS2PTGS1
Hydrochloric Acid SCHEMBL1287377 0.79 KDM4E (0.50) EPHX2NR1H4ENPP2PTGS2CA12
SCHEMBL14508573 0.78 EPHX2 (0.46) EPHX2NR1H4ENPP2CA12CA1
SCHEMBL3930626 0.77 EPHX2 (0.57) EPHX2NR1H4ENPP2CA1CA2
SCHEMBL13263443 0.77 EPHX2 (0.54) EPHX2NR1H4ENPP2CA1CA2
SCHEMBL3301007 0.76 EPHX2 (0.45) EPHX2NR1H4ENPP2PTGS2CA12
SCHEMBL568156 0.76 ADH1B (0.53) EPHX2NR1H4ENPP2PTGS2CA12
SCHEMBL13090066 0.76 EPHX2 (0.53) EPHX2NR1H4ENPP2PTGS2PTGS1
SCHEMBL21165326 0.76 CA2 (0.66) PTGS2PTGS1CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080200454-A1 CARBON-LINKED TETRAHYDRO-PYRAZOLO-PYRIDINE MODULATORS OF CATHEPSIN S SUNESIS PHARMACEUTICALS, INC. 2008-08-21 US claimed
WO-2008100618-A2 CARBON-LINKED TETRAHYDRO-PYRAZOLO-PYRIDINE MODULATORS OF CATHEPSIN S SUNESIS PHARMACEUTICALS, INC. (US) 2008-08-21 WO claimed
EP-1887007-A2 Novel compounds AstraZeneca AB (SE) 2008-02-13 EP claimed
US-20060287355-A1 Imidazo and thiazolopyridines as jak3 kinase inhibitors ASTRAZENECA AB (SE) 2006-12-21 US claimed
US-20080200454-A1 CARBON-LINKED TETRAHYDRO-PYRAZOLO-PYRIDINE MODULATORS OF CATHEPSIN S SUNESIS PHARMACEUTICALS, INC. 2008-08-21 US disclosed
WO-2008100618-A2 CARBON-LINKED TETRAHYDRO-PYRAZOLO-PYRIDINE MODULATORS OF CATHEPSIN S SUNESIS PHARMACEUTICALS, INC. (US) 2008-08-21 WO disclosed
EP-1887007-A2 Novel compounds AstraZeneca AB (SE) 2008-02-13 EP disclosed
EP-1625126-B1 IMIDAZO AND THIAZOLOPYRIDINES AS JAK3 KINASE INHIBITORS ASTRAZENECA AB (SE) 2008-01-16 EP disclosed
US-20060287355-A1 Imidazo and thiazolopyridines as jak3 kinase inhibitors ASTRAZENECA AB (SE) 2006-12-21 US disclosed
EP-1625126-A1 IMIDAZO AND THIAZOLOPYRIDINES AS JAK3 KINASE INHIBITORS AstraZeneca AB (SE) 2006-02-15 EP disclosed
WO-2004099204-A1 IMIDAZO AND THIAZOLOPYRIDINES AS JAK3 KINASE INHIBITORS ASTRAZENECA AB (SE) 2004-11-18 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 (2 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-20080200454-A1 CARBON-LINKED TETRAHYDRO-PYRAZOLO-PYRIDINE MODULATORS OF CATHEPSIN S CTSS, CTSK, CTSZ EPHX2 3129/4885NR1H4 1417/4885ENPP2 229/4885
US-20060287355-A1 Imidazo and thiazolopyridines as jak3 kinase inhibitors JAK3, JAK2, JAK1 EPHX2 4174/4885NR1H4 2754/4885ENPP2 3966/4885

“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.