SCHEMBL3487939

SCHEMBL3487939

O=C(O)Nc1ccc(CN2C(=O)C(Nc3ccc(N4CCOCC4)cc3)=C(c3ccccc3)S2(O)O)cn1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.42
JAK3 P52333 5/20 0.41
JAK2 O60674 5/20 0.41
JAK1 P23458 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TYK2 P29597 1/20 0.40
PLK4 O00444 2/20 0.40
BRAF P15056 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
MAPT P10636 2/20 0.39
TSHR P16473 1/20 0.39
AURKA O14965 1/20 0.39
MAPK8 P45983 1/20 0.39
EP300 Q09472 1/20 0.39
STAT6 P42226 1/20 0.39
CASP3 P42574 1/20 0.39
ALDH1A1 P00352 1/20 0.39
RAB9A P51151 1/20 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
SCHEMBL3487943 0.93 NR1H2 (0.44) DGAT1JAK3JAK2JAK1SMN1; SMN2
SCHEMBL3488497 0.81 MEN1 (0.38) MEN1KMT2AMAPTALDH1A1
SCHEMBL5666396 0.81 STAT6 (0.37) DGAT1JAK3JAK2JAK1SMN1; SMN2
SCHEMBL3487282 0.79 NR1H2 (0.46) JAK2JAK1SMN1; SMN2TYK2PLK4
SCHEMBL3488498 0.73 KMT2A (0.39) MEN1KMT2AMAPTALDH1A1
SCHEMBL3487718 0.71 NR1H2 (0.58) JAK2SMN1; SMN2PLK4MEN1KMT2A
SCHEMBL4690096 0.70 NR1H2 (0.51) JAK2PLK4MAPTSTAT6ALDH1A1
SCHEMBL3487297 0.69 NR1H2 (0.46) JAK2SMN1; SMN2PLK4MEN1KMT2A
SCHEMBL1902169 0.69 HIF1A (0.60) SMN1; SMN2TSHRALDH1A1RAB9A
SCHEMBL3487580 0.68 NR1H2 (0.54) JAK2SMN1; SMN2PLK4MEN1KMT2A

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 5 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
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 DGAT1 404/4885JAK3 2810/4885JAK2 2903/4885
US-20080255122-A1 Derivatives of Isothiazol-3(2H)-One 1,1-Dioxides as Liver X Receptor Modulators NR1H2, NR1H3, NR1I2 DGAT1 444/4885JAK3 2676/4885JAK2 2738/4885

“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.