SCHEMBL3488115

SCHEMBL3488115

CCCCN1C(=O)C(Nc2ccc3[nH]ccc3c2)=C(c2ccccc2)S1(=O)=O

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.43
CA12 O43570 2/20 0.40
CA9 Q16790 2/20 0.40
CYP19A1 P11511 1/20 0.39
NPC1 O15118 2/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
PLK2 Q9NYY3 1/20 0.38
GRM2 Q14416 1/20 0.38
EGFR P00533 3/20 0.37
FLT1 P17948 2/20 0.37
KDR P35968 2/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
GAA P10253 1/20 0.37
NR1H2 P55055 1/20 0.36
NR1H3 Q13133 1/20 0.36
PRKD1 Q15139 1/20 0.36
GLO1 Q04760 1/20 0.35

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
SCHEMBL5613966 0.94 EPHX1 (0.41) EPHX1CA12CA9CYP19A1NPC1
SCHEMBL3487027 0.87 NPC1 (0.40) CYP19A1NPC1MAPTRAB9APLK2
SCHEMBL3487497 0.81 CA12 (0.40) CA12CA9GAANR1H2NR1H3
SCHEMBL3487923 0.80 PSMB8 (0.41) CA12CA9NPC1MAPTRAB9A
SCHEMBL3488028 0.80 CA12 (0.44) CA12CA9MAPTEGFRGAA
SCHEMBL3487448 0.79 CA12 (0.46) CA12CA9MAPTRAB9AGAA
SCHEMBL3486895 0.77 SMN1; SMN2 (0.38) CA12CA9NPC1MAPTRAB9A
SCHEMBL3488399 0.77 NR1H2 (0.55) CA12CA9NPC1MAPTRAB9A
SCHEMBL3488251 0.77 CA12 (0.44) CA12CA9MAPTGAANR1H2
SCHEMBL3487918 0.76 SMN1; SMN2 (0.38) CA12CA9NPC1MAPTRAB9A

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 EPHX1 1612/4885CA12 4625/4885CA9 4266/4885
US-20080255122-A1 Derivatives of Isothiazol-3(2H)-One 1,1-Dioxides as Liver X Receptor Modulators NR1H2, NR1H3, NR1I2 EPHX1 1573/4885CA12 4576/4885CA9 4222/4885

“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.