SCHEMBL3487322

SCHEMBL3487322

O=C1NS(=O)(=O)C(c2ccccc2)=C1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 7/20 0.43
CA9 Q16790 7/20 0.43
CA2 P00918 6/20 0.41
KDM4E B2RXH2 2/20 0.41
CA1 P00915 2/20 0.41
CA4 P22748 2/20 0.41
CA7 P43166 2/20 0.41
LMNA P02545 2/20 0.41
USP2 O75604 1/20 0.41
BCHE P06276 1/20 0.41
CA6 P23280 1/20 0.41
CA5A P35218 1/20 0.41
KMT2A Q03164 1/20 0.41
CA14 Q9ULX7 1/20 0.41
CA5B Q9Y2D0 1/20 0.41
RET P07949 2/20 0.41
GRK5 P34947 2/20 0.41
TYRO3 Q06418 2/20 0.41
DYRK1B Q9Y463 2/20 0.41
TYMP P19971 1/20 0.38

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
SCHEMBL28739981 0.77 CA12 (0.43) CA12CA9CA2KDM4ECA1
SCHEMBL2004460 0.77 CA12 (0.43) CA12CA9CA2KDM4ECA1
SCHEMBL11065313 0.74 CA12 (0.42) CA12CA9CA2KDM4ECA1
SCHEMBL11062987 0.67 RET (0.42) CA12CA9CA2KDM4ECA1
SCHEMBL11066725 0.66 NTRK3 (0.41) CA12CA9CA2KDM4ECA1
Saccharin SCHEMBL4425845 0.65 CA12 (0.85) CA12CA9CA2KDM4ECA1
SCHEMBL9637088 0.64 CA12 (0.53) CA12CA9CA2KDM4ECA1
SCHEMBL3487967 0.63 CA9 (0.44) CA12CA9CA2KDM4EHPGD
Saccharin SCHEMBL27754964 0.63 CA12 (0.88) CA12CA9CA2KDM4ECA1
SCHEMBL187281 0.61 GSK3B (0.53) CHEK1PIM1AURKAGSK3B

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-20100016321-A1 DERIVATIVES OF ISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDES AS LIVER X RECEPTOR MODULATOR ASTRAZENECA AB (SE) 2010-01-21 US disclosed
US-7582629-B2 Derivatives of isothiazol-3(2H)-one 1,1-dioxides as liver X receptor modulators ASTRAZENECA AB (SE) 2009-09-01 US disclosed
US-20080255122-A1 Derivatives of Isothiazol-3(2H)-One 1,1-Dioxides as Liver X Receptor Modulators ASTRAZENECA AB (SE) 2008-10-16 US disclosed
EP-1838686-A1 DERIVATIVES OF ISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDES AS LIVER X RECEPTOR MODULATORS AstraZeneca AB (SE) 2007-10-03 EP disclosed
WO-2006073363-A1 DERIVATIVES OF ISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDES AS LIVER X RECEPTOR MODULATORS 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-20100016321-A1 DERIVATIVES OF ISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDES AS LIVER X RECEPTOR MODULATOR NR1H2, NR1H3, NR1I2 CA12 4625/4885CA9 4266/4885CA2 3315/4885
US-20080255122-A1 Derivatives of Isothiazol-3(2H)-One 1,1-Dioxides as Liver X Receptor Modulators NR1H2, NR1H3, NR1I2 CA12 4576/4885CA9 4222/4885CA2 3108/4885

“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.