SCHEMBL2643751

SCHEMBL2643751

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP1 P03956 4/20 0.36
▸ MMP13 P45452 4/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ PSEN1 P49768 2/20 0.33
▸ PSEN2 P49810 2/20 0.33
▸ APH1B Q8WW43 2/20 0.33
▸ NCSTN Q92542 2/20 0.33
▸ APH1A Q96BI3 2/20 0.33
▸ PSENEN Q9NZ42 2/20 0.33
▸ CA1 P00915 1/20 0.32
▸ CA2 P00918 1/20 0.32
▸ CA5A P35218 1/20 0.32
▸ CA7 P43166 1/20 0.32
▸ CA9 Q16790 1/20 0.32
▸ CA5B Q9Y2D0 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ TXNRD1 Q16881 1/20 0.32
▸ CA12 O43570 1/20 0.31
▸ MMP2 P08253 1/20 0.31
▸ CA14 Q9ULX7 1/20 0.31

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) MMP1MMP13ALDH1A1PSEN1PSEN2
SCHEMBL9646612 0.82 MMP13 (0.34) MMP1MMP13ALDH1A1PSEN1PSEN2
SCHEMBL1268553 0.81 ALDH1A1 (0.36) MMP1MMP13ALDH1A1PSEN1PSEN2
SCHEMBL10060466 0.80 CA12 (0.46) MMP1MMP13CA1CA2CA9
SCHEMBL14520771 0.78 ENPP2 (0.52) —
SCHEMBL178444 0.78 GAA (0.56) MMP1MMP13ALDH1A1CA1CA2
SCHEMBL2657775 0.78 ALDH1A1 (0.36) MMP1MMP13ALDH1A1PSEN1PSEN2
SCHEMBL2642848 0.76 L3MBTL1 (0.37) ALDH1A1PSEN1PSEN2APH1BNCSTN
SCHEMBL1811878 0.76 ALDH1A1 (0.48) ALDH1A1PSEN1PSEN2APH1BNCSTN
SCHEMBL2646217 0.76 ENPP2 (0.56) ALDH1A1CA1CA2CA5ACA7

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 MMP1 3096/4885MMP13 2731/4885ALDH1A1 1207/4885
US-20060258701-A1 Novel 2-pyridinecarboxamide derivatives GCKR, GCK, HK2 MMP1 3184/4885MMP13 2751/4885ALDH1A1 1249/4885
US-20100041660-A1 NOVEL 2-PYRIDINECARBOXAMIDE DERIVATIVES GCKR, GCK, HK2 MMP1 3096/4885MMP13 2731/4885ALDH1A1 1207/4885

“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.

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