SCHEMBL3489097

SCHEMBL3489097

CCCCN1C(=O)C(Nc2ccc(S(=O)(=O)NC(C)=O)cc2)=C(c2ccccc2)S1(O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SCN3A Q9NY46 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
ALDH1A1 P00352 2/20 0.38
MAPT P10636 1/20 0.38
HSP90AA1 P07900 1/20 0.38
DHFR P00374 1/20 0.38
TSHR P16473 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
PTGS2 P35354 1/20 0.37
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.37
GFER P55789 1/20 0.37
KMT2A Q03164 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
PKM P14618 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL3489093 0.91 KDM4E (0.42) KDM4EL3MBTL1SCN3ASMN1; SMN2ALDH1A1
SCHEMBL4466726 0.84 MAPT (0.36) KDM4ESMN1; SMN2MAPTTSHRTDP1
SCHEMBL4466722 0.76 MAPT (0.36) KDM4ESMN1; SMN2MAPTTSHRTDP1
SCHEMBL3488025 0.74 ALDH1A1 (0.44) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL3486901 0.73 SMN1; SMN2 (0.38) KDM4EL3MBTL1SMN1; SMN2ALDH1A1MAPT
SCHEMBL3487448 0.73 CA12 (0.46) KDM4EL3MBTL1SMN1; SMN2ALDH1A1MAPT
SCHEMBL3488251 0.71 CA12 (0.44) SMN1; SMN2ALDH1A1MAPTGAAKMT2A
SCHEMBL3486988 0.70 SYK (0.43) KDM4EL3MBTL1SMN1; SMN2ALDH1A1MAPT
SCHEMBL3488550 0.70 NPC1 (0.38) SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL3487199 0.69 DHODH (0.39) KDM4EALDH1A1TSHRKMT2A

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 KDM4E 4430/4885L3MBTL1 4525/4885SCN3A 2545/4885
US-20080255122-A1 Derivatives of Isothiazol-3(2H)-One 1,1-Dioxides as Liver X Receptor Modulators NR1H2, NR1H3, NR1I2 KDM4E 4498/4885L3MBTL1 4564/4885SCN3A 2551/4885

“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.