SCHEMBL3487895

SCHEMBL3487895

CCCCN1C(=O)C(Nc2ccc3c(c2)CCNC3)=C(c2ccccc2)S1(=O)=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BPTF Q12830 2/20 0.42
ACVR1 Q04771 2/20 0.39
DRD2 P14416 2/20 0.38
HTR2A P28223 2/20 0.38
HTR2C P28335 2/20 0.38
DRD3 P35462 2/20 0.38
HTR6 P50406 2/20 0.38
CA12 O43570 1/20 0.38
CA9 Q16790 1/20 0.38
WEE1 P30291 6/20 0.37
DDB1 Q16531 1/20 0.37
CRBN Q96SW2 1/20 0.37
AXL P30530 2/20 0.37
TYRO3 Q06418 2/20 0.37
MERTK Q12866 2/20 0.37
NR1H2 P55055 1/20 0.36
NR1H3 Q13133 1/20 0.36
CAMK2D Q13557 1/20 0.36
ASIC3 Q9UHC3 1/20 0.35
MLNR O43193 1/20 0.35

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
SCHEMBL5613977 0.84 MLNR (0.41) BPTFACVR1DRD3HTR6WEE1
SCHEMBL3486729 0.81 TMPRSS2 (0.38) ACVR1CA12CA9NR1H2NR1H3
SCHEMBL3488135 0.80 ACVR1 (0.42) ACVR1CA12CA9NR1H2NR1H3
SCHEMBL3487963 0.79 RAB9A (0.39) ACVR1
SCHEMBL3488028 0.77 CA12 (0.44) CA12CA9NR1H2NR1H3
SCHEMBL3487448 0.76 CA12 (0.46) CA12CA9NR1H2NR1H3
SCHEMBL3489514 0.76 ESR2 (0.46) NR1H2NR1H3
SCHEMBL3488115 0.76 EPHX1 (0.43) CA12CA9NR1H2NR1H3
SCHEMBL5613942 0.75 BPTF (0.43) BPTFACVR1DRD2HTR2AHTR2C
SCHEMBL3487497 0.75 CA12 (0.40) CA12CA9NR1H2NR1H3

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 BPTF 1296/4885ACVR1 1049/4885DRD2 3703/4885
US-20080255122-A1 Derivatives of Isothiazol-3(2H)-One 1,1-Dioxides as Liver X Receptor Modulators NR1H2, NR1H3, NR1I2 BPTF 1487/4885ACVR1 1182/4885DRD2 3486/4885

“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.