SCHEMBL689244

SCHEMBL689244

CS(=O)(=O)c1ccc(-c2cccc(C#N)c2)cc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADAMTS4 O75173 1/20 0.55
PTGS2 P35354 3/20 0.53
ACLY P53396 3/20 0.49
PGR P06401 3/20 0.49
PTPN5 P54829 1/20 0.48
XDH P47989 1/20 0.48
SLC22A12 Q96S37 1/20 0.48
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
KAT6A Q92794 1/20 0.46
MCOLN3 Q8TDD5 1/20 0.46
CTSS P25774 1/20 0.45
CTSK P43235 1/20 0.45
PTGES2 Q9H7Z7 1/20 0.45
CLK4 Q9HAZ1 1/20 0.45

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
SCHEMBL4190362 0.82 PTGS2 (0.72) PTGS2CA12CA1CA2CA9
SCHEMBL30069983 0.82 PTGS2 (0.55) PTGS2PGRCA12CA1CA2
SCHEMBL2224475 0.81 MAP4K4 (0.61)
SCHEMBL30915555 0.80 MCOLN3 (0.51) PTGS2ACLYPGRKAT6AMCOLN3
SCHEMBL410063 0.80 MCOLN3 (0.51) PTGS2ACLYPGRKAT6AMCOLN3
SCHEMBL27787243 0.80 CLK4 (0.63) PGRPTPN5XDHSLC22A12CLK4
Hydrochloric Acid SCHEMBL29739267 0.79 MCOLN3 (0.50) PTGS2ACLYPGRKAT6AMCOLN3
SCHEMBL8770634 0.78 PTGS2 (0.68) PTGS2CA12CA1CA2CA9
SCHEMBL21189130 0.78 CLK4 (0.57) PGRPTPN5XDHSLC22A12CLK4
Hydrochloric Acid SCHEMBL28007259 0.78 CLK4 (0.61) PGRPTPN5XDHSLC22A12CLK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1953148-B1 HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2012-02-29 EP disclosed
EP-1953148-B1 HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2012-02-29 EP disclosed
US-7915267-B2 Heterocyclic amide compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-03-29 US disclosed
US-7915267-B2 Heterocyclic amide compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-03-29 US disclosed
US-7915267-B2 Heterocyclic amide compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-03-29 US disclosed
US-20090137603-A1 HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-05-28 US disclosed
US-20090137603-A1 HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-05-28 US disclosed
US-20090137603-A1 HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-05-28 US disclosed
EP-1953148-A1 HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2008-08-06 EP disclosed
EP-1953148-A1 HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2008-08-06 EP 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-20090137603-A1 HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF MMP2, MMP9, MMP1 ADAMTS4 29/4885PTGS2 212/4885ACLY 797/4885

“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.