SCHEMBL3487447

SCHEMBL3487447

COCCN1C(=O)C(Nc2cc(C3CCCCC3)ccc2OC)=C(c2ccccc2)S1(=O)=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.40
ALDH1A1 P00352 5/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
HTT P42858 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
LMNA P02545 4/20 0.39
KMT2A Q03164 2/20 0.39
MAPK1 P28482 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
CCR5 P51681 4/20 0.37
SMN1; SMN2 Q16637 2/20 0.35
HPGD P15428 1/20 0.35
TP53 P04637 1/20 0.35
MCHR1 Q99705 3/20 0.35
PDE4A P27815 2/20 0.34
NR1H2 P55055 1/20 0.34
NR1H3 Q13133 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
SCHEMBL3488298 0.86 NR1H2 (0.44) MAPTALDH1A1KMT2ASMN1; SMN2MCHR1
SCHEMBL5607640 0.75 CCR5 (0.37) MAPTALDH1A1L3MBTL1HTTCYP1A2
SCHEMBL3487384 0.72 P2RX7 (0.42) ALDH1A1L3MBTL1LMNAKMT2AMAPK1
SCHEMBL1997463 0.69 HPGD (0.36) ALDH1A1CYP1A2SMN1; SMN2HPGDTP53
SCHEMBL3488372 0.67 NR1H2 (0.53) MAPTALDH1A1CYP1A2KMT2AMAPK1
SCHEMBL3487831 0.67 NR1H2 (0.41) MAPTALDH1A1LMNAKMT2ASMN1; SMN2
SCHEMBL3487027 0.67 NPC1 (0.40) MAPTNR1H2NR1H3
SCHEMBL3487585 0.66 SMN1; SMN2 (0.36) MAPTALDH1A1L3MBTL1HTTLMNA
SCHEMBL2001434 0.65 HPGD (0.41) ALDH1A1CYP1A2CYP2C9LMNATDP1
SCHEMBL2002974 0.65 HPGD (0.41) MAPTALDH1A1CYP1A2CYP3A4CYP2C9

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 MAPT 1882/4885ALDH1A1 1872/4885L3MBTL1 4525/4885
US-20080255122-A1 Derivatives of Isothiazol-3(2H)-One 1,1-Dioxides as Liver X Receptor Modulators NR1H2, NR1H3, NR1I2 MAPT 1938/4885ALDH1A1 1892/4885L3MBTL1 4564/4885

“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.