SCHEMBL1997801

SCHEMBL1997801

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

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TEAD1 P28347 3/20 0.42
DDB1 Q16531 1/20 0.42
CRBN Q96SW2 1/20 0.42
EPHX2 P34913 7/20 0.40
SIGMAR1 Q99720 2/20 0.40
TDP1 Q9NUW8 1/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GAA P10253 1/20 0.38
TRPV1 Q8NER1 1/20 0.38
SRD5A2 P31213 1/20 0.38

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
SCHEMBL1498444 0.84 SMYD3 (0.46) EPHX2SIGMAR1MEN1LMNAHTT
SCHEMBL1498342 0.84 SMYD3 (0.46) EPHX2SIGMAR1MEN1LMNAHTT
SCHEMBL1498344 0.84 SMYD3 (0.46) EPHX2SIGMAR1MEN1LMNAHTT
SCHEMBL22719848 0.78 EPHX2 (0.48) TEAD1EPHX2MEN1LMNAHTT
SCHEMBL3961482 0.75 EPHX2 (0.66) EPHX2
SCHEMBL1998036 0.73 MAOB (0.48) DDB1CRBN
SCHEMBL2003236 0.72 DDB1 (0.46) DDB1CRBN
SCHEMBL7647671 0.72 RAB9A (0.59) TEAD1MEN1KMT2ASMN1; SMN2SRD5A2
SCHEMBL1498500 0.71 MEN1 (0.44) EPHX2SIGMAR1MEN1LMNAHTT
SCHEMBL1498502 0.71 MEN1 (0.44) EPHX2SIGMAR1MEN1LMNAHTT

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-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
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 TEAD1 2061/4885DDB1 1788/4885CRBN 1319/4885
US-20100227847-A1 Non-Anilinic Derivatives Of Isothiazol-3(2H)-one 1,1-Dioxides As Liver X Receptor Modulators NR1H2, NR1H3, NR1I2 TEAD1 2061/4885DDB1 1788/4885CRBN 1319/4885

“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.