SCHEMBL2445593

SCHEMBL2445593

CC(C)S(=O)(=O)c1ccc2cccccc1-2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.48
ALOX5AP P20292 1/20 0.46
FEN1 P39748 1/20 0.46
ATR Q13535 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
MMP1 P03956 2/20 0.41
MMP2 P08253 2/20 0.41
MMP9 P14780 2/20 0.41
MMP13 P45452 2/20 0.41
CDC25A P30304 1/20 0.41
CDC25B P30305 1/20 0.41
MMP8 P22894 1/20 0.41
MMP12 P39900 1/20 0.41
MMP14 P50281 1/20 0.41
MMP16 P51512 1/20 0.41
MEN1 O00255 1/20 0.40
APAF1 O14727 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
SCHEMBL27907686 0.94 ALOX5AP (0.47) PTGS2ALOX5APFEN1ATRCA12
SCHEMBL656528 0.79 PTGS2 (0.50) PTGS2CA12CA1CA2CA9
SCHEMBL2447766 0.78 PTGS2 (0.64) PTGS2RAB9AL3MBTL1
SCHEMBL5711493 0.77 PTGS2 (0.52) PTGS2CA12CA1CA2CA9
SCHEMBL28172581 0.75 ALOX5AP (0.48) PTGS2ALOX5APFEN1ATRATM
SCHEMBL2449150 0.74 PTGS2 (0.50) PTGS2ALOX5APFEN1ATRCA12
SCHEMBL28130041 0.74 ALOX5AP (0.50) ALOX5APFEN1ATR
SCHEMBL140117 0.74 PTGS2 (0.48) PTGS2CA12CA1CA2CA9
SCHEMBL15879481 0.74 PTGS2 (0.48) PTGS2CA12CA1CA2CA9
SCHEMBL14519925 0.74 CA12 (0.54) PTGS2ATRCA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8575153-B2 Pyridine-3-carboxyamide derivative KOWA COMPANY, LTD. (JP) 2013-11-05 US disclosed
EP-2380877-A1 PYRIDINE-3-CARBOXYAMIDE DERIVATIVE Kowa Company, Ltd. (JP) 2011-10-26 EP disclosed
US-20110237590-A1 PYRIDINE-3-CARBOXYAMIDE DERIVATIVE KOWA COMPANY, LTD. (JP) 2011-09-29 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 (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-20110237590-A1 PYRIDINE-3-CARBOXYAMIDE DERIVATIVE JAK3, JAK1, UACA PTGS2 791/4885ALOX5AP 694/4885FEN1 4249/4885

“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.