SCHEMBL3487923

SCHEMBL3487923

CCCCN1C(=O)C(Nc2ccc3[nH]c(=S)sc3c2)=C(c2ccccc2)S1(=O)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMB8 P28062 7/20 0.41
ALDH1A1 P00352 4/20 0.41
KMT2A Q03164 4/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CA12 O43570 2/20 0.38
CA9 Q16790 2/20 0.38
MEN1 O00255 3/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
P2RX3 P56373 1/20 0.35
GAA P10253 1/20 0.35
KIF11 P52732 1/20 0.34
NR1H2 P55055 1/20 0.34
NR1H3 Q13133 1/20 0.34
HPGD P15428 2/20 0.32
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32

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
SCHEMBL3488115 0.80 EPHX1 (0.43) NPC1RAB9ACA12CA9MAPT
SCHEMBL3488028 0.77 CA12 (0.44) ALDH1A1KMT2ASMN1; SMN2CA12CA9
SCHEMBL3487448 0.76 CA12 (0.46) ALDH1A1KMT2ARAB9ASMN1; SMN2CA12
SCHEMBL5613761 0.76 PSMB8 (0.41) PSMB8ALDH1A1KMT2ANPC1RAB9A
SCHEMBL5613966 0.75 EPHX1 (0.41) NPC1RAB9ACA12CA9MAPT
SCHEMBL3487497 0.75 CA12 (0.40) KMT2ACA12CA9MEN1GAA
SCHEMBL3488251 0.74 CA12 (0.44) ALDH1A1KMT2ASMN1; SMN2CA12CA9
SCHEMBL3488399 0.74 NR1H2 (0.55) ALDH1A1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL3487200 0.74 DHODH (0.40) ALDH1A1KMT2ALMNA
SCHEMBL3487895 0.74 BPTF (0.42) CA12CA9NR1H2NR1H3

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 PSMB8 2532/4885ALDH1A1 1872/4885KMT2A 3077/4885
US-20080255122-A1 Derivatives of Isothiazol-3(2H)-One 1,1-Dioxides as Liver X Receptor Modulators NR1H2, NR1H3, NR1I2 PSMB8 2680/4885ALDH1A1 1892/4885KMT2A 3198/4885

“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.