SCHEMBL3487448

SCHEMBL3487448

CCCCN1C(=O)C(Nc2ccc(O)cc2)=C(c2ccccc2)S1(=O)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.46
CA9 Q16790 3/20 0.46
NR1H2 P55055 6/20 0.43
NR1H3 Q13133 6/20 0.43
GAA P10253 2/20 0.40
ALDH1A1 P00352 5/20 0.39
APP P05067 1/20 0.36
MAPT P10636 4/20 0.36
MAPK1 P28482 3/20 0.36
CYP3A4 P08684 2/20 0.36
LMNA P02545 2/20 0.36
HPGD P15428 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
TP53 P04637 1/20 0.36
PTGS1 P23219 1/20 0.36
RAB9A P51151 1/20 0.36
NAPRT Q6XQN6 1/20 0.36
KDM4E B2RXH2 2/20 0.36

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
SCHEMBL3488251 0.88 CA12 (0.44) CA12CA9NR1H2NR1H3GAA
SCHEMBL5613966 0.87 EPHX1 (0.41) CA12CA9NR1H2NR1H3APP
SCHEMBL3488399 0.86 NR1H2 (0.55) CA12CA9NR1H2NR1H3ALDH1A1
SCHEMBL3488042 0.85 NR1H2 (0.42) NR1H2NR1H3ALDH1A1APPMAPT
SCHEMBL3487929 0.85 ALDH1A1 (0.46) CA12CA9NR1H2NR1H3GAA
SCHEMBL3487073 0.85 AR (0.47) CA12CA9NR1H2NR1H3ALDH1A1
SCHEMBL3488288 0.82 CA12 (0.41) CA12CA9NR1H2NR1H3GAA
SCHEMBL3486726 0.82 CA12 (0.41) CA12CA9NR1H2NR1H3GAA
SCHEMBL3489093 0.82 KDM4E (0.42) CA12CA9GAAALDH1A1MAPT
SCHEMBL3487580 0.82 NR1H2 (0.54) CA12CA9NR1H2NR1H3GAA

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 8 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 claimed
US-7582629-B2 Derivatives of isothiazol-3(2H)-one 1,1-dioxides as liver X receptor modulators ASTRAZENECA AB (SE) 2009-09-01 US claimed
US-20080255122-A1 Derivatives of Isothiazol-3(2H)-One 1,1-Dioxides as Liver X Receptor Modulators ASTRAZENECA AB (SE) 2008-10-16 US claimed
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 4266/4885NR1H2 1/4885
US-20080255122-A1 Derivatives of Isothiazol-3(2H)-One 1,1-Dioxides as Liver X Receptor Modulators NR1H2, NR1H3, NR1I2 CA12 4576/4885CA9 4222/4885NR1H2 1/4885

“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.