SCHEMBL3487861

SCHEMBL3487861

CCCCN1C(=O)C(Nc2ccc3cc(C(=O)OC(C)(C)C)oc3c2)=C(c2ccccc2)S1(=O)=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.35
NPC1 O15118 2/20 0.35
MAPK1 P28482 2/20 0.35
RAB9A P51151 2/20 0.35
MAPT P10636 3/20 0.35
TP53 P04637 2/20 0.35
CNR2 P34972 1/20 0.35
HDAC3 O15379 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
NR1H2 P55055 1/20 0.34
NR1H3 Q13133 1/20 0.34
HRH3 Q9Y5N1 1/20 0.33
CA12 O43570 1/20 0.33
CA9 Q16790 1/20 0.33
CYP24A1 Q07973 1/20 0.33
TSHR P16473 2/20 0.33
NAMPT P43490 1/20 0.33
CTSK P43235 1/20 0.32
MEN1 O00255 1/20 0.32
CASP3 P42574 1/20 0.32

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
SCHEMBL3488388 0.93 SMN1; SMN2 (0.35) SMN1; SMN2NPC1MAPK1RAB9AMAPT
SCHEMBL3487865 0.93 SMN1; SMN2 (0.35) SMN1; SMN2NPC1MAPK1RAB9AMAPT
SCHEMBL4470496 0.90 CYP24A1 (0.33) SMN1; SMN2MAPTTP53NR1H2NR1H3
SCHEMBL3488389 0.86 SMN1; SMN2 (0.35) SMN1; SMN2NPC1MAPK1RAB9AMAPT
SCHEMBL4470498 0.86 CYP24A1 (0.32) MAPTCYP24A1
SCHEMBL3486895 0.82 SMN1; SMN2 (0.38) SMN1; SMN2NPC1MAPK1RAB9AMAPT
SCHEMBL3487918 0.81 SMN1; SMN2 (0.38) SMN1; SMN2NPC1MAPK1RAB9AMAPT
SCHEMBL3486990 0.79 SYK (0.44) SMN1; SMN2NPC1MAPK1RAB9AMAPT
SCHEMBL3487497 0.77 CA12 (0.40) NR1H2NR1H3CA12CA9MEN1
SCHEMBL3486901 0.74 SMN1; SMN2 (0.38) SMN1; SMN2NPC1MAPK1RAB9AMAPT

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 3 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
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 (1 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 SMN1; SMN2 4234/4885NPC1 98/4885MAPK1 983/4885

“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.