SCHEMBL3487291

SCHEMBL3487291

CCN1C(=O)C(Nc2ccc(N3CCOCC3)cc2)=C(c2ccc(C(F)(F)F)cc2)S1(=O)=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.48
LMNA P02545 3/20 0.48
NR1H2 P55055 1/20 0.47
NR1H3 Q13133 1/20 0.47
TSHR P16473 1/20 0.42
NR4A1 P22736 1/20 0.42
AKR1C3 P42330 1/20 0.41
TACR2 P21452 1/20 0.41
BTK Q06187 3/20 0.40
JAK2 O60674 2/20 0.40
FPR1 P21462 1/20 0.40
FPR2 P25090 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPKAPK2 P49137 1/20 0.39
CDK4 P11802 1/20 0.39
CCND1 P24385 1/20 0.39
CCND2 P30279 1/20 0.39
CCND3 P30281 1/20 0.39
CD274 Q9NZQ7 1/20 0.39

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
SCHEMBL3487718 0.87 NR1H2 (0.58) MAPTNR1H2NR1H3TSHRJAK2
SCHEMBL3487580 0.78 NR1H2 (0.54) MAPTNR1H2NR1H3JAK2MEN1
SCHEMBL5606492 0.75 NR1H2 (0.45) MAPTLMNANR1H2NR1H3MEN1
SCHEMBL3488372 0.75 NR1H2 (0.53) MAPTNR1H2NR1H3JAK2MEN1
SCHEMBL3487254 0.74 NR1H2 (0.60) MAPTLMNANR1H2NR1H3TSHR
SCHEMBL3486754 0.74 NR1H2 (0.82) MAPTLMNANR1H2NR1H3TSHR
SCHEMBL3486886 0.72 NR1H2 (0.58) MAPTNR1H2NR1H3TSHRJAK2
SCHEMBL3487302 0.71 NR1H2 (0.43) MAPTNR1H2NR1H3TSHRMEN1
SCHEMBL3487381 0.70 CA12 (0.39) MAPTLMNAMEN1KMT2AKDM4E
SCHEMBL3487658 0.70 CA12 (0.42) CA12CA9

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 MAPT 1882/4885LMNA 3519/4885NR1H2 1/4885
US-20080255122-A1 Derivatives of Isothiazol-3(2H)-One 1,1-Dioxides as Liver X Receptor Modulators NR1H2, NR1H3, NR1I2 MAPT 1938/4885LMNA 3647/4885NR1H2 1/4885

“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.