SCHEMBL3488079

SCHEMBL3488079

CC(C)N1C(=O)C(Nc2ccc(N3CCCCC3)cc2)=C(c2ccccc2)S1(=O)=O

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.71
NR1H3 Q13133 1/20 0.71
ABL1 P00519 5/20 0.43
YES1 P07947 5/20 0.43
MAPK1 P28482 5/20 0.43
NTRK1 P04629 4/20 0.43
PIM1 P11309 4/20 0.43
KDR P35968 4/20 0.43
HIPK1 Q86Z02 4/20 0.43
NPC1 O15118 6/20 0.41
MAPT P10636 6/20 0.41
ALDH1A1 P00352 5/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
RAB9A P51151 4/20 0.41
LMNA P02545 2/20 0.41
APAF1 O14727 2/20 0.41
TP53 P04637 1/20 0.41
PKM P14618 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41

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
SCHEMBL3486886 0.90 NR1H2 (0.58) NR1H2NR1H3ABL1YES1NTRK1
SCHEMBL3487077 0.83 NR1H2 (1.00) NR1H2NR1H3ABL1YES1MAPK1
SCHEMBL3487778 0.83 NR1H2 (1.00) NR1H2NR1H3ABL1YES1MAPK1
SCHEMBL3487794 0.82 NR1H2 (0.98) NR1H2NR1H3ABL1YES1MAPK1
SCHEMBL3487779 0.78 NR1H2 (0.43) NR1H2NR1H3MAPK1NPC1MAPT
SCHEMBL2000053 0.76 NR1H2 (0.39) NR1H2NR1H3MAPTALDH1A1SMN1; SMN2
SCHEMBL3487254 0.76 NR1H2 (0.60) NR1H2NR1H3MAPK1MAPTALDH1A1
SCHEMBL3487718 0.74 NR1H2 (0.58) NR1H2NR1H3ABL1YES1MAPK1
SCHEMBL3486754 0.73 NR1H2 (0.82) NR1H2NR1H3MAPK1MAPTALDH1A1
SCHEMBL3487580 0.71 NR1H2 (0.54) NR1H2NR1H3ABL1YES1MAPK1

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 2/4885ABL1 4663/4885
US-20080255122-A1 Derivatives of Isothiazol-3(2H)-One 1,1-Dioxides as Liver X Receptor Modulators NR1H2, NR1H3, NR1I2 NR1H2 1/4885NR1H3 2/4885ABL1 4631/4885

“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.