SCHEMBL3487384

SCHEMBL3487384

COCCN1C(=O)C(Nc2cccc3c2CCCC3)=C(c2ccccc2)S1(=O)=O

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 2/20 0.42
KDM4E B2RXH2 1/20 0.37
POLB P06746 1/20 0.37
LMNA P02545 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
SHMT2 P34897 1/20 0.36
ALDH1A1 P00352 3/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
NR1H2 P55055 1/20 0.35
NR1H3 Q13133 1/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
THRA P10827 1/20 0.35
THRB P10828 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
MCL1 Q07820 1/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL1997463 0.75 HPGD (0.36) KDM4ESMN1; SMN2ALDH1A1NR1H2NR1H3
SCHEMBL3488042 0.75 NR1H2 (0.42) KDM4EPOLBLMNASMN1; SMN2ALDH1A1
SCHEMBL3488298 0.73 NR1H2 (0.44) SMN1; SMN2ALDH1A1MEN1KMT2ANR1H2
SCHEMBL3487447 0.72 MAPT (0.40) LMNASMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL5614016 0.72 P2RX7 (0.41) P2RX7KDM4EPOLBLMNASMN1; SMN2
SCHEMBL2004915 0.71 BRD4 (0.37) POLBSMN1; SMN2ALDH1A1CNR1CNR2
SCHEMBL2001680 0.71 MAPK1 (0.39) SMN1; SMN2ALDH1A1NR1H2NR1H3MAPK1
SCHEMBL3488372 0.71 NR1H2 (0.53) POLBSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL2000476 0.71 CA12 (0.40) MAPK1
SCHEMBL3487831 0.71 NR1H2 (0.41) LMNASMN1; SMN2ALDH1A1MEN1KMT2A

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 P2RX7 3057/4885KDM4E 4430/4885POLB 3373/4885
US-20080255122-A1 Derivatives of Isothiazol-3(2H)-One 1,1-Dioxides as Liver X Receptor Modulators NR1H2, NR1H3, NR1I2 P2RX7 2821/4885KDM4E 4498/4885POLB 3592/4885

“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.