SCHEMBL1998036

SCHEMBL1998036

NC1CCC(Sc2ccc(C(F)(F)F)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.48
KDM1A O60341 4/20 0.48
DDB1 Q16531 2/20 0.45
CRBN Q96SW2 2/20 0.45
MAOA P21397 5/20 0.41
AR P10275 1/20 0.38
PNMT P11086 1/20 0.38
HTR2C P28335 3/20 0.36
KIF11 P52732 1/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 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
SCHEMBL2003236 0.80 DDB1 (0.46) MAOBKDM1ADDB1CRBNMAOA
SCHEMBL24529835 0.79 HTR2C (0.56) MAOBDDB1CRBNMAOAAR
SCHEMBL24483590 0.79 DDB1 (0.45) MAOBDDB1CRBNMAOAAR
SCHEMBL15996787 0.77 CRBN (0.42) MAOBDDB1CRBNMAOA
SCHEMBL30939414 0.76 MAOB (0.44) MAOBKDM1ACRBNMAOA
SCHEMBL29850010 0.76 MAOB (0.44) MAOBKDM1ACRBNMAOA
SCHEMBL5883656 0.75 CARM1 (0.44) MAOBKDM1ADDB1CRBNMAOA
SCHEMBL1997801 0.73 TEAD1 (0.42) DDB1CRBN
SCHEMBL4791806 0.72 DDB1 (0.43) MAOBKDM1ADDB1CRBNMAOA
SCHEMBL8597881 0.72 HTR2C (0.61) MAOBKDM1AMAOAPNMTHTR2C

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7960380-B2 Non-anilinic derivatives of isothiazol-3(2H)-one 1,1-dioxides as liver X receptor modulators ASTRAZENECA AB (SE) 2011-06-14 US disclosed
US-20100227847-A1 Non-Anilinic Derivatives Of Isothiazol-3(2H)-one 1,1-Dioxides As Liver X Receptor Modulators ASTRAZENECA AB (SE) 2010-09-09 US disclosed
US-7723333-B2 Non-anilinic derivatives of isothiazol-3(2H)-one 1,1-dioxides as liver X receptor modulators ASTRAZENECA AB (SE) 2010-05-25 US disclosed
US-20090005353-A1 Non-Anilinic Derivatives of Isothiazol-3(2H)-one 1,1-Dioxides as Liver X Receptor Modulators ASTRAZENECA AB (SE) 2009-01-01 US disclosed
CN-101137628-A Non-anilinic derivatives of isothiazol-3(2h)-one 1,1-dioxides as liver x receptor modulators ASTRAZENECA AB (SE) 2008-03-05 CN disclosed
EP-1838687-A1 NON-ANILINIC DERIVATIVES OF ISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDES AS LIVER X RECEPTOR MODULATORS AstraZeneca AB (SE) 2007-10-03 EP disclosed
WO-2006073366-A1 NON-ANILINIC 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-20090005353-A1 Non-Anilinic Derivatives of Isothiazol-3(2H)-one 1,1-Dioxides as Liver X Receptor Modulators NR1H2, NR1H3, NR1I2 MAOB 4085/4885KDM1A 3708/4885DDB1 1788/4885
US-20100227847-A1 Non-Anilinic Derivatives Of Isothiazol-3(2H)-one 1,1-Dioxides As Liver X Receptor Modulators NR1H2, NR1H3, NR1I2 MAOB 4085/4885KDM1A 3708/4885DDB1 1788/4885

“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.