SCHEMBL3487580

SCHEMBL3487580

CCCCN1C(=O)C(Nc2ccc(N3CCOCC3)cc2)=C(c2ccccc2)S1(=O)=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.54
NR1H3 Q13133 1/20 0.54
MAPT P10636 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
RPS6KA3 P51812 1/20 0.42
RPS6KA2 Q15349 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
JAK2 O60674 2/20 0.41
IGF1R P08069 1/20 0.41
CA12 O43570 1/20 0.40
CA9 Q16790 1/20 0.40
INSR P06213 1/20 0.40
KDM1A O60341 1/20 0.40
STK10 O94804 1/20 0.40
SLK Q9H2G2 1/20 0.40
PLK4 O00444 1/20 0.40
ALDH1A1 P00352 2/20 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
SCHEMBL5606492 0.90 NR1H2 (0.45) NR1H2NR1H3MAPTSMN1; SMN2NPC1
SCHEMBL3487718 0.89 NR1H2 (0.58) NR1H2NR1H3MAPTSMN1; SMN2RPS6KA3
SCHEMBL3487302 0.89 NR1H2 (0.43) NR1H2NR1H3MAPTSMN1; SMN2NPC1
SCHEMBL2000112 0.87 ALDH1A1 (0.42) NR1H2NR1H3MAPTSMN1; SMN2NPC1
SCHEMBL3488372 0.87 NR1H2 (0.53) NR1H2NR1H3MAPTSMN1; SMN2RAB9A
SCHEMBL5607249 0.87 NR1H2 (0.43) NR1H2NR1H3MAPTSMN1; SMN2NPC1
SCHEMBL3488220 0.87 MAPT (0.46) NR1H2NR1H3MAPTSMN1; SMN2NPC1
SCHEMBL3487587 0.86 NR1H2 (0.51) NR1H2NR1H3MAPTKDM1AMAPK1
SCHEMBL3487254 0.85 NR1H2 (0.60) NR1H2NR1H3MAPTSMN1; SMN2RPS6KA3
SCHEMBL3487448 0.82 CA12 (0.46) NR1H2NR1H3MAPTSMN1; SMN2RAB9A

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 6 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

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.