SCHEMBL4470496

SCHEMBL4470496

CCCCN1C(=O)C(Nc2ccc3cc(C(=O)OC(C)(C)C)oc3c2)=C(c2ccccc2)S1(=O)=O.CN1C(=O)C(Nc2ccc(OC(F)F)cc2)=C(c2ccccc2)S1(=O)=O

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP24A1 Q07973 1/20 0.33
MAPT P10636 3/20 0.32
KLK7 P49862 1/20 0.31
TP53 P04637 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
P2RX3 P56373 1/20 0.30
CYP26A1 O43174 1/20 0.30
ADCY6 O43306 1/20 0.30
ADCY3 O60266 1/20 0.30
ADCY9 O60503 1/20 0.30
ADCY5 O95622 1/20 0.30
ADCY8 P40145 1/20 0.30
GCGR P47871 1/20 0.30
ADCY7 P51828 1/20 0.30
ADCY2 Q08462 1/20 0.30
ADCY1 Q08828 1/20 0.30
ADCY4 Q8NFM4 1/20 0.30
NR1H2 P55055 1/20 0.30
NR1H3 Q13133 1/20 0.30

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
SCHEMBL4470498 0.96 CYP24A1 (0.32) CYP24A1MAPT
SCHEMBL3487861 0.90 SMN1; SMN2 (0.35) CYP24A1MAPTTP53SMN1; SMN2NR1H2
SCHEMBL3488388 0.84 SMN1; SMN2 (0.35) MAPTTP53SMN1; SMN2P2RX3NR1H2
SCHEMBL3487865 0.83 SMN1; SMN2 (0.35) CYP24A1MAPTTP53SMN1; SMN2
SCHEMBL3488288 0.80 CA12 (0.41) MAPTSMN1; SMN2NR1H2NR1H3
SCHEMBL3488389 0.77 SMN1; SMN2 (0.35) MAPTTP53SMN1; SMN2P2RX3
SCHEMBL5322871 0.75 MAPT (0.40) MAPTSMN1; SMN2P2RX3NR1H2NR1H3
SCHEMBL5606506 0.75 NR1H2 (0.39) MAPTTP53SMN1; SMN2P2RX3NR1H2
SCHEMBL3487236 0.74 MAPT (0.43) MAPTSMN1; SMN2NR1H2NR1H3
SCHEMBL3486895 0.73 SMN1; SMN2 (0.38) MAPTTP53SMN1; SMN2P2RX3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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-20080255122-A1 Derivatives of Isothiazol-3(2H)-One 1,1-Dioxides as Liver X Receptor Modulators NR1H2, NR1H3, NR1I2 CYP24A1 302/4885MAPT 1938/4885KLK7 3958/4885

“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.