SCHEMBL1171992

SCHEMBL1171992

Cc1cc(CO)cc(S(N)(=O)=O)c1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA1 P00915 16/20 0.52
CA2 P00918 16/20 0.52
CA9 Q16790 14/20 0.52
CA12 O43570 8/20 0.52
CA7 P43166 6/20 0.52
CA6 P23280 5/20 0.52
CA5A P35218 5/20 0.52
CA5B Q9Y2D0 5/20 0.52
CA4 P22748 5/20 0.52
CA14 Q9ULX7 4/20 0.52
CA3 P07451 1/20 0.47
CA13 Q8N1Q1 2/20 0.42
PTGS2 P35354 2/20 0.41
PTGS1 P23219 1/20 0.41
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL6552228 0.82 SNCA (0.38) CA1CA2CA9CA12CA7
SCHEMBL5898261 0.82 PTGS2 (0.40) CA1CA2CA9CA12CA7
SCHEMBL2005577 0.79 CA2 (0.56) CA1CA2CA9CA12CA7
SCHEMBL3949466 0.78 CA2 (0.53) CA1CA2CA9CA12CA7
SCHEMBL23851032 0.78 CA2 (0.44) CA1CA2CA9CA12CA7
SCHEMBL10750259 0.78 CA1 (0.42) CA1CA2CA9CA12CA7
SCHEMBL15787787 0.75 CA2 (0.44) CA1CA2CA9CA12CA7
SCHEMBL501769 0.73 PGK1 (0.48) KDM4EALDH1A1
SCHEMBL92965 0.73 ACHE (0.48) KDM4EALDH1A1
SCHEMBL11176657 0.73 TPMT (0.59) CA1CA2CA9CA12CA7

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-20110046108-A1 PYRIMIDINE DERIVATIVES ASTRAZENECA AB (SE) 2011-02-24 US disclosed
US-20110046108-A1 PYRIMIDINE DERIVATIVES ASTRAZENECA AB (SE) 2011-02-24 US disclosed
US-20110046108-A1 PYRIMIDINE DERIVATIVES ASTRAZENECA AB (SE) 2011-02-24 US disclosed
CN-101374818-A Pyrimidine derivatives ASTRAZENECA AB (SE) 2009-02-25 CN disclosed
EP-1981856-A2 PYRIMIDINE DERIVATIVES AstraZeneca AB (SE) 2008-10-22 EP disclosed
WO-2007085833-A2 PYRIMIDINE DERIVATIVES ASTRAZENECA AB (SE) 2007-08-02 WO disclosed
WO-2007085833-A2 PYRIMIDINE DERIVATIVES ASTRAZENECA AB (SE) 2007-08-02 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 (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-20110046108-A1 PYRIMIDINE DERIVATIVES EPHB4, EPHB1, EPHB3 CA1 4634/4885CA2 3427/4885CA9 4288/4885

“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.