SCHEMBL1945514

SCHEMBL1945514

Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCN(S(=O)(=O)c2ccc(C)cc2)CC3)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.71
LMNA P02545 3/20 0.71
SMN1; SMN2 Q16637 2/20 0.71
THRB P10828 1/20 0.71
L3MBTL1 Q9Y468 1/20 0.71
HSD17B10 Q99714 1/20 0.67
KCNA1 Q09470 3/20 0.67
KCNAB1 Q14722 3/20 0.67
DPP4 P27487 1/20 0.60
DRD2 P14416 6/20 0.58
HTR2A P28223 6/20 0.58
HTR2C P28335 6/20 0.58
DRD3 P35462 6/20 0.58
HTR6 P50406 6/20 0.58
CYP1A2 P05177 2/20 0.58
CYP3A4 P08684 2/20 0.58
CYP2D6 P10635 2/20 0.58
CYP2C9 P11712 2/20 0.58
CYP2C19 P33261 2/20 0.58
TP53 P04637 3/20 0.57

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
SCHEMBL12540053 0.83 KCNA1 (0.77) LMNAKCNA1KCNAB1TP53POLB
SCHEMBL1946003 0.81 KCNA1 (1.00) ALDH1A1LMNASMN1; SMN2THRBL3MBTL1
SCHEMBL1946627 0.80 LMNA (0.77) ALDH1A1LMNASMN1; SMN2THRBL3MBTL1
SCHEMBL1949180 0.79 PKM (0.54) ALDH1A1LMNASMN1; SMN2POLB
SCHEMBL6163822 0.78 KCNA1 (0.72) ALDH1A1LMNASMN1; SMN2THRBL3MBTL1
SCHEMBL1016818 0.77 PKM (0.62) ALDH1A1LMNAL3MBTL1POLB
SCHEMBL1944493 0.77 KCNA1 (0.92) ALDH1A1LMNASMN1; SMN2THRBL3MBTL1
SCHEMBL6623996 0.76 ALDH1A1 (0.71) ALDH1A1LMNASMN1; SMN2THRBL3MBTL1
SCHEMBL1946363 0.75 AKR1C3 (0.55) ALDH1A1LMNAL3MBTL1POLB
SCHEMBL6149579 0.75 LMNA (0.69) ALDH1A1LMNASMN1; SMN2THRBL3MBTL1

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-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
EP-2069309-A1 ION CHANNEL MODULATORS&USES THEREOF Lectus Therapeutics Limited (GB) 2009-06-17 EP disclosed
EP-2066317-A2 USE OF ION CHANNEL MODULATORS IN THE PROPHYLAXIS AND TREATMENT OF INFLAMMATORY AND IMMUNOLOGICAL DISEASES Lectus Therapeutics Limited (GB) 2009-06-10 EP disclosed
WO-2008038053-A1 ION CHANNEL MODULATORS & USES THEREOF LECTUS THERAPEUTICS LIMITED (GB) 2008-04-03 WO disclosed
WO-2008038051-A2 USE OF ION CHANNEL MODULATORS IN THE PROPHYLAXIS AND TREATMENT OF INFLAMMATORY AND IMMUNOLOGICAL DISEASES LECTUS THERAPEUTICS LIMITED (GB) 2008-04-03 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-20090318423-A1 Ion Channel Modulators & Uses Thereof KCNH3, KCNN3, KCNH2 ALDH1A1 1965/4885LMNA 3429/4885SMN1; SMN2 3625/4885
US-20110130383-A1 Use of Ion Channel Modulators in the Prophylaxis and Treatment of Inflammatory and Immunological Diseases HCAR2, HCAR1, SCN7A ALDH1A1 2831/4885LMNA 3982/4885SMN1; SMN2 4159/4885

“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.