SCHEMBL3487722

SCHEMBL3487722

CCCCNS(=O)(=O)Cc1ccc(Cl)cc1

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.55
HPGD P15428 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.49
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
GAA P10253 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HDAC3 O15379 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44

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
SCHEMBL564037 0.82 ALDH1A1 (0.77) ALDH1A1HPGDKDM4EMEN1KMT2A
SCHEMBL24425797 0.82 KDM4E (0.53) ALDH1A1HPGDKDM4EMEN1KMT2A
SCHEMBL3487099 0.81 ALDH1A1 (0.54) ALDH1A1HPGDMEN1KMT2A
SCHEMBL26212940 0.80 KDM4E (0.51) ALDH1A1HPGDKDM4EMEN1KMT2A
SCHEMBL635209 0.77 ALDH1A1 (0.74) ALDH1A1HPGDKDM4EMEN1KMT2A
SCHEMBL13296438 0.77 TSHR (0.63) ALDH1A1SMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL24425825 0.77 KDM4E (0.51) ALDH1A1HPGDKDM4EMEN1KMT2A
SCHEMBL7868590 0.76 ALDH1A1 (0.49) ALDH1A1HPGDSMN1; SMN2MEN1KMT2A
SCHEMBL634184 0.76 ALDH1A1 (0.72) ALDH1A1HPGDSMN1; SMN2KDM4EMEN1
SCHEMBL8355319 0.76 ALDH1A1 (0.72) ALDH1A1HPGDSMN1; SMN2KDM4EMEN1

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 5 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 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 ALDH1A1 1872/4885HPGD 1248/4885SMN1; SMN2 4234/4885
US-20080255122-A1 Derivatives of Isothiazol-3(2H)-One 1,1-Dioxides as Liver X Receptor Modulators NR1H2, NR1H3, NR1I2 ALDH1A1 1892/4885HPGD 1210/4885SMN1; SMN2 4232/4885

“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.