SCHEMBL1945878

SCHEMBL1945878

CCCCc1ccccc1S(=O)(=O)N=C=O

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
LIPG Q9Y5X9 1/20 0.36
GABRA1 P14867 1/20 0.35
GABRB2 P47870 1/20 0.35
CTSB P07858 1/20 0.33
RECQL P46063 1/20 0.33
NR1H2 P55055 1/20 0.33
NR1H3 Q13133 1/20 0.33
CA12 O43570 2/20 0.33
CA9 Q16790 2/20 0.33
CNR2 P34972 1/20 0.33
CA2 P00918 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TLR8 Q9NR97 1/20 0.32
TDP1 Q9NUW8 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
SCHEMBL27527586 0.95 LIPG (0.41) LIPGRECQLNR1H2NR1H3
Cyanide SCHEMBL27388351 0.91 LIPG (0.39) LIPGRECQLNR1H2NR1H3
SCHEMBL10690933 0.81 GABRA1 (0.30) GABRA1GABRB2
SCHEMBL10694395 0.81 TDP1 (0.31) GABRA1GABRB2TDP1
SCHEMBL10181651 0.78 LIPG (0.43) CYP3A4CYP2D6CYP2C9LIPGCTSB
SCHEMBL10383754 0.77 HSD11B1 (0.31)
SCHEMBL8549823 0.77 GABRA1 (0.32) GABRA1GABRB2CTSB
SCHEMBL10646473 0.77 GABRA1 (0.35) GABRA1GABRB2CTSB
SCHEMBL8932920 0.76 LIPG (0.42) CYP3A4CYP2D6CYP2C9LIPGCTSB
SCHEMBL12004765 0.76 PSIP1 (0.42) CYP3A4CYP2D6CYP2C9LIPGCTSB

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-20110130383-A1 Use of Ion Channel Modulators in the Prophylaxis and Treatment of Inflammatory and Immunological Diseases LECTUS THERAPEUTICS LIMITED (GB) 2011-06-02 US disclosed
US-20090318423-A1 Ion Channel Modulators & Uses Thereof LECTUS THERAPEUTICS LIMITED (GB) 2009-12-24 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-20090318423-A1 Ion Channel Modulators & Uses Thereof KCNH3, KCNN3, KCNH2 CYP3A4 766/4885CYP2D6 412/4885CYP2C9 368/4885
US-20110130383-A1 Use of Ion Channel Modulators in the Prophylaxis and Treatment of Inflammatory and Immunological Diseases HCAR2, HCAR1, SCN7A CYP3A4 670/4885CYP2D6 330/4885CYP2C9 282/4885

“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.