SCHEMBL4892037

SCHEMBL4892037

CC(C)N1C(=S)C(NC2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)=C(c2ccccc2)S1(=O)=O

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 1/20 0.47
MAPT P10636 3/20 0.47
CYP2C9 P11712 3/20 0.47
CYP2C19 P33261 3/20 0.47
GAA P10253 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
LMNA P02545 2/20 0.46
KDM4E B2RXH2 3/20 0.46
CHRM4 P08173 4/20 0.45
ALDH1A1 P00352 2/20 0.44
HPGD P15428 1/20 0.44
CHRM5 P08912 1/20 0.43
CHRM1 P11229 1/20 0.43
CHRM3 P20309 1/20 0.43
PKM P14618 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
CNR2 P34972 1/20 0.41
POLB P06746 1/20 0.40

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
SCHEMBL1996472 0.93 METAP1 (0.49) METAP1MAPTCYP2C9CYP2C19GAA
SCHEMBL1996730 0.84 MAPT (0.43) METAP1MAPTCYP2C9CYP2C19GAA
SCHEMBL1995171 0.83 METAP1 (0.49) METAP1MAPTCYP2C9CYP2C19GAA
SCHEMBL5185106 0.74 METAP1 (0.48) METAP1MAPTCYP2C9CYP2C19GAA
SCHEMBL5316660 0.70 METAP1 (0.49) METAP1MAPTCYP2C9CYP2C19GAA
SCHEMBL2003962 0.68 HCRTR1 (0.47) MAPTGAASMN1; SMN2LMNAKDM4E
SCHEMBL6192649 0.68 MAPT (0.62) MAPTCYP2C9CYP2C19GAASMN1; SMN2
SCHEMBL23645900 0.68 LMNA (0.64) MAPTCYP2C9CYP2C19GAALMNA
SCHEMBL1999058 0.66 NR1H2 (0.45) MAPTLMNAKDM4ECHRM4ALDH1A1
SCHEMBL12267527 0.66 POLB (0.66) METAP1MAPTCYP2C9CYP2C19GAA

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-20080319017-A2 Non-Anilinic Derivatives of Isothiazol-3(2H)-Thione 1,1-Dioxides As Liver X Receptor Modulators ASTRAZENECA AB (SE) 2008-12-25 US claimed
US-20080139616-A1 Atherosclerosis; inflammatory diseases, Alzheimer's disease, dyslipidemia, metabolic syndrome; 2-isopropyl-5-phenyl-4-[(4-phenylbutyl)amino]isothiazole-3(2H)-thione 1,1-dioxide for example ASTRAZENECA AB (SE) 2008-06-12 US claimed
EP-1838684-A1 NON-ANILINIC DERIVATIVES OF ISOTHIAZOL-3(2H)-THIONE 1,1-DIOXIDES AS LIVER X RECEPTOR MODULATORS AstraZeneca AB (SE) 2007-10-03 EP claimed
WO-2006073365-A1 NON-ANILINIC DERIVATIVES OF ISOTHIAZOL-3(2H)-THIONE 1,1-DIOXIDES AS LIVER X RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2006-07-13 WO claimed
US-20080319017-A2 Non-Anilinic Derivatives of Isothiazol-3(2H)-Thione 1,1-Dioxides As Liver X Receptor Modulators ASTRAZENECA AB (SE) 2008-12-25 US disclosed
US-20080139616-A1 Atherosclerosis; inflammatory diseases, Alzheimer's disease, dyslipidemia, metabolic syndrome; 2-isopropyl-5-phenyl-4-[(4-phenylbutyl)amino]isothiazole-3(2H)-thione 1,1-dioxide for example ASTRAZENECA AB (SE) 2008-06-12 US disclosed
EP-1838684-A1 NON-ANILINIC DERIVATIVES OF ISOTHIAZOL-3(2H)-THIONE 1,1-DIOXIDES AS LIVER X RECEPTOR MODULATORS AstraZeneca AB (SE) 2007-10-03 EP disclosed
WO-2006073365-A1 NON-ANILINIC DERIVATIVES OF ISOTHIAZOL-3(2H)-THIONE 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-20080319017-A2 Non-Anilinic Derivatives of Isothiazol-3(2H)-Thione 1,1-Dioxides As Liver X Receptor Modulators NR1H2, NR1H3, NR1I2 METAP1 2247/4885MAPT 1895/4885CYP2C9 740/4885
US-20080139616-A1 Atherosclerosis; inflammatory diseases, Alzheimer's disease, dyslipidemia, metabolic syndrome; 2-isopropyl-5-phenyl-4-[(4-phenylbutyl)amino]isothiazole-3(2H)-thione 1,1-dioxide for example NR1H2, NR1H3, SREBF1 METAP1 1911/4885MAPT 976/4885CYP2C9 1709/4885

“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.