SCHEMBL3488779

SCHEMBL3488779

CCCCN1C(=O)C(Nc2nc[nH]n2)=C(c2ccccc2)S1(=O)=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.42
CA9 Q16790 3/20 0.42
GAA P10253 2/20 0.39
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
ADORA2B P29275 1/20 0.34
NR1H3 Q13133 3/20 0.33
NR1H2 P55055 2/20 0.33
CCNB2 O95067 1/20 0.33
CCNE2 O96020 1/20 0.33
CDK1 P06493 1/20 0.33
FGFR1 P11362 1/20 0.33
CDK4 P11802 1/20 0.33
CCNB1 P14635 1/20 0.33
CCNA2 P20248 1/20 0.33
FGFR2 P21802 1/20 0.33
FGFR4 P22455 1/20 0.33
FGFR3 P22607 1/20 0.33
CCND1 P24385 1/20 0.33
CCNE1 P24864 1/20 0.33

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
SCHEMBL5613963 0.84 NR1H2 (0.36) KMT2ANR1H3NR1H2TP53MAPT
SCHEMBL3487021 0.77 LMNA (0.41) CA12CA9MEN1KMT2ANR1H3
SCHEMBL3488399 0.77 NR1H2 (0.55) CA12CA9MEN1KMT2ANR1H3
SCHEMBL3487448 0.77 CA12 (0.46) CA12CA9GAAMEN1KMT2A
SCHEMBL1998121 0.76 CA12 (0.48) CA12CA9GAAALDH1A1GLA
SCHEMBL3487073 0.76 AR (0.47) CA12CA9NR1H3NR1H2MAPT
SCHEMBL3486726 0.76 CA12 (0.41) CA12CA9GAANR1H3NR1H2
SCHEMBL3487929 0.76 ALDH1A1 (0.46) CA12CA9GAAMEN1KMT2A
SCHEMBL3488021 0.75 BCHE (0.46) CA12CA9GAAMEN1KMT2A
SCHEMBL3488251 0.75 CA12 (0.44) CA12CA9GAAKMT2ANR1H3

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-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

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 CA12 4625/4885CA9 4266/4885GAA 2400/4885
US-20080255122-A1 Derivatives of Isothiazol-3(2H)-One 1,1-Dioxides as Liver X Receptor Modulators NR1H2, NR1H3, NR1I2 CA12 4576/4885CA9 4222/4885GAA 2454/4885

“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.