SCHEMBL4115807

SCHEMBL4115807

Cc1c(S(=O)(=O)c2ccc(Cl)cc2)csc1S(N)(=O)=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA3 P07451 1/20 0.47
CA4 P22748 1/20 0.47
CA6 P23280 1/20 0.47
CA5A P35218 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
CA13 Q8N1Q1 1/20 0.47
CA14 Q9ULX7 1/20 0.47
CA5B Q9Y2D0 1/20 0.47
ALDH1A1 P00352 2/20 0.46
CYP3A4 P08684 1/20 0.46
MAPK1 P28482 1/20 0.46
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
POLB P06746 1/20 0.43
ACHE P22303 1/20 0.41
KDM4E B2RXH2 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
SCHEMBL13990269 0.82 ALDH1A1 (0.50) CA2CA12CA1CA3CA4
SCHEMBL4989745 0.80 ALDH1A1 (0.44) CA2CA12CA1CA3CA4
SCHEMBL13990664 0.78 ALDH1A1 (0.46) CA2CA12CA1CA3CA4
SCHEMBL4991868 0.76 ACHE (0.44) ALDH1A1CYP3A4MAPK1MEN1KMT2A
SCHEMBL3064716 0.76 ACHE (0.52) ALDH1A1CYP3A4MAPK1MEN1KMT2A
SCHEMBL1327208 0.76 ACHE (0.54) ALDH1A1CYP3A4MAPK1MEN1KMT2A
SCHEMBL4985975 0.73 KDM4E (0.55) ALDH1A1MEN1KMT2APOLBACHE
SCHEMBL4862009 0.70 ALDH1A1 (0.48) ALDH1A1MEN1KMT2APOLBACHE
SCHEMBL4618905 0.68 LMNA (0.58) CA2CA12CA1CA3CA4
SCHEMBL1031333 0.68 ALDH1A1 (0.48) CA2CA12CA1CA3CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090227555-A2 Novel Pyridine Compounds ASTRAZENECA AB (SE) 2009-09-10 US disclosed
US-20090042852-A1 Novel Pyridine Compounds ASTRAZENECA AB (SE) 2009-02-12 US disclosed
EP-1836189-A1 NOVEL PYRIDINE COMPOUNDS AstraZeneca AB (SE) 2007-09-26 EP disclosed
WO-2006073361-A9 NOVEL PYRIDINE COMPOUNDS ASTRAZENECA AB (SE) 2007-08-02 WO disclosed
WO-2006073361-A1 NOVEL PYRIDINE COMPOUNDS ASTRAZENECA AB (SE) 2006-07-13 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 (2 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-20090042852-A1 Novel Pyridine Compounds P2RY12, P2RY11, P2RY1 CA2 2671/4885CA12 4253/4885CA1 4752/4885
US-20090227555-A2 Novel Pyridine Compounds P2RY12, P2RY1, P2RY11 CA2 3705/4885CA12 4661/4885CA1 4864/4885

“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.