SCHEMBL2642848

SCHEMBL2642848

CC(C)S(=O)(=O)c1ccc([S])cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.37
PSEN1 P49768 2/20 0.36
PSEN2 P49810 2/20 0.36
APH1B Q8WW43 2/20 0.36
NCSTN Q92542 2/20 0.36
APH1A Q96BI3 2/20 0.36
PSENEN Q9NZ42 2/20 0.36
ALDH1A1 P00352 2/20 0.36
ABL1 P00519 1/20 0.34
MAPT P10636 2/20 0.33
GAA P10253 2/20 0.33
KDM4E B2RXH2 1/20 0.33
HTT P42858 1/20 0.33
GSK3B P49841 2/20 0.33
ATM Q13315 2/20 0.33
ATR Q13535 2/20 0.33
SYK P43405 1/20 0.33
POLB P06746 1/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32

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
SCHEMBL10060475 0.87 ALDH1A1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL10060466 0.80 CA12 (0.46) MAPTHTTPOLBCA1CA2
SCHEMBL178444 0.78 GAA (0.56) ALDH1A1MAPTGAAKDM4EHTT
SCHEMBL14520771 0.78 ENPP2 (0.52)
SCHEMBL2657775 0.78 ALDH1A1 (0.36) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL21959011 0.76 LOX (0.39) L3MBTL1ALDH1A1ABL1MAPTKDM4E
SCHEMBL1811878 0.76 ALDH1A1 (0.48) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL152957 0.76 MMP2 (0.53) CA1CA2CA9
SCHEMBL1368959 0.76 CA1 (0.48) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2646286 0.76 CA1 (0.47) ALDH1A1CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8765789-B2 2-pyridinecarboxamide derivatives MSD K.K. (JP) 2014-07-01 US disclosed
US-20130085156-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES MSD K.K. (JP) 2013-04-04 US disclosed
US-8344003-B2 2-pyridinecarboxamide derivatives MSD K. K. (JP) 2013-01-01 US disclosed
US-20100041660-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES MSD K.K. (JP) 2010-02-18 US disclosed
US-7629362-B2 2-pyridine carboxamide derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-12-08 US disclosed
US-20060258701-A1 Novel 2-pyridinecarboxamide derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-11-16 US disclosed
EP-1598349-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-11-23 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 (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-20130085156-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES GCKR, GCK, HK2 L3MBTL1 4342/4885PSEN1 3857/4885PSEN2 3436/4885
US-20060258701-A1 Novel 2-pyridinecarboxamide derivatives GCKR, GCK, HK2 L3MBTL1 4359/4885PSEN1 3854/4885PSEN2 3511/4885
US-20100041660-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES GCKR, GCK, HK2 L3MBTL1 4342/4885PSEN1 3857/4885PSEN2 3436/4885

“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.