SCHEMBL3487831

SCHEMBL3487831

COCCN1C(=O)C(Nc2ccc(OC(F)F)cc2)=C(c2ccccc2)S1(=O)=O

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 5/20 0.41
NR1H3 Q13133 5/20 0.41
MAPT P10636 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KMT2A Q03164 3/20 0.39
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 2/20 0.39
TEAD4 Q15561 1/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.35
HPGD P15428 2/20 0.34
TSHR P16473 1/20 0.34
RAB9A P51151 1/20 0.34
GALR2 O43603 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL3488288 0.88 CA12 (0.41) NR1H2NR1H3MAPTSMN1; SMN2KMT2A
SCHEMBL3487236 0.85 MAPT (0.43) NR1H2NR1H3MAPTSMN1; SMN2KMT2A
SCHEMBL3487222 0.84 NR1H2 (0.44) NR1H2NR1H3MAPTSMN1; SMN2KMT2A
SCHEMBL3488264 0.84 NR1H2 (0.53) NR1H2NR1H3MAPTSMN1; SMN2KMT2A
SCHEMBL3488042 0.84 NR1H2 (0.42) NR1H2NR1H3MAPTSMN1; SMN2KMT2A
SCHEMBL5322871 0.82 MAPT (0.40) NR1H2NR1H3MAPTSMN1; SMN2KMT2A
SCHEMBL4688571 0.81 NR1H2 (0.58) NR1H2NR1H3MAPTSMN1; SMN2KMT2A
SCHEMBL4820919 0.78 NR1H2 (0.64) NR1H2NR1H3MAPTSMN1; SMN2KMT2A
SCHEMBL4217757 0.78 LMNA (0.39) NR1H2NR1H3MAPTSMN1; SMN2KMT2A
SCHEMBL3488372 0.78 NR1H2 (0.53) NR1H2NR1H3MAPTSMN1; SMN2KMT2A

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 NR1H2 1/4885NR1H3 2/4885MAPT 1882/4885
US-20080255122-A1 Derivatives of Isothiazol-3(2H)-One 1,1-Dioxides as Liver X Receptor Modulators NR1H2, NR1H3, NR1I2 NR1H2 1/4885NR1H3 2/4885MAPT 1938/4885

“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.