SCHEMBL2336434

SCHEMBL2336434

Cc1ccc(S(=O)(=O)OCCN(C)S(=O)(=O)c2ccc(C)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.46
MCOLN3 Q8TDD5 1/20 0.46
LMNA P02545 4/20 0.44
C5AR1 P21730 1/20 0.44
AGER Q15109 1/20 0.44
SMN1; SMN2 Q16637 4/20 0.43
POLB P06746 2/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
HTT P42858 1/20 0.43
CASP3 P42574 1/20 0.43
CA12 O43570 1/20 0.42
CA9 Q16790 1/20 0.42
GLA P06280 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL12378540 0.87 ALDH1A1 (0.42) MAPTMCOLN3C5AR1AGERKMT2A
SCHEMBL7221916 0.86 SMN1; SMN2 (0.50) MAPTLMNASMN1; SMN2POLBKMT2A
SCHEMBL2335489 0.85 GLA (0.50) MAPTMCOLN3LMNAC5AR1AGER
SCHEMBL13817382 0.85 CYP2D6 (0.43) MAPTMCOLN3C5AR1AGERKMT2A
SCHEMBL3614979 0.85 CA12 (0.49) MAPTMCOLN3C5AR1AGERCA12
SCHEMBL6443129 0.84 GLA (0.49) MAPTMCOLN3LMNAC5AR1SMN1; SMN2
SCHEMBL10090152 0.83 CASP3 (0.58) MAPTMCOLN3LMNAC5AR1AGER
Hydrochloric Acid SCHEMBL28936935 0.83 ALOX15 (0.50) MAPTMCOLN3C5AR1AGERCA12
SCHEMBL9593490 0.81 GLA (0.46) LMNASMN1; SMN2KMT2AMEN1HTT
SCHEMBL28721741 0.81 CA12 (0.45) MAPTMCOLN3C5AR1AGERCA12

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120115859-A1 3,4,5-SUBSTITUTED PIPERIDINES AS RENIN INHIBITORS HEROLD PETER (CH) 2012-05-10 US disclosed
EP-1776359-B1 PIPERIDINE DERIVATIVES AS RENIN INHIBITORS NOVARTIS AG (CH) 2011-08-24 EP disclosed
US-7799779-B2 Substituted piperidines as renin inhibitors NOVARTIS AG (CH) 2010-09-21 US disclosed
EP-1863802-B1 SUBSTITUTED PIPERIDINES AS RENIN INHIBITORS NOVARTIS AG (CH) 2010-06-16 EP disclosed
US-20090306064-A1 Substituted Piperidines as Renin Inhibitors NOVARTIS AG (CH) 2009-12-10 US disclosed
US-20090270380-A1 3,4,5-Substituted Piperidines as Renin Inhibitors NOVARTIS AG (CH) 2009-10-29 US disclosed
EP-1987834-A2 Substituted piperidines as therapeutic compounds Speedel Experimenta AG (CH) 2008-11-05 EP disclosed
US-20080076766-A1 Piperidine Derivatives As Renin Inhibitor SPEEDEL EXPERIMENTA AG (CH) 2008-03-27 US disclosed
EP-1863763-A1 3,4,5-SUBSTITUTED PIPERIDINES AS RENIN INHIBITORS Speedel Experimenta AG (CH) 2007-12-12 EP disclosed
EP-1863802-A1 SUBSTITUTED PIPERIDINES AS RENIN INHIBITORS Speedel Experimenta AG (CH) 2007-12-12 EP disclosed
EP-1816122-A2 3,4,5-substituted piperidines as therapeutic compounds Speedel Experimenta AG (CH) 2007-08-08 EP disclosed
US-20070167433-A1 3,4,5-Substituted piperidines as therapeutic compounds SPEEDEL EXPERIMENTA AG (CH) 2007-07-19 US disclosed
EP-1776359-A2 PIPERIDINE DERIVATIVES AS RENIN INHIBITORS Speedel Experimenta AG (CH) 2007-04-25 EP disclosed
WO-2006103273-A1 SUBSTITUTED PIPERIDINES AS RENIN INHIBITORS SPEEDEL EXPERIMENTA AG (CH) 2006-10-05 WO disclosed
WO-2006103275-A1 3,4,5-SUBSTITUTED PIPERIDINES AS RENIN INHIBITORS SPEEDEL EXPERIMENTA AG (CH) 2006-10-05 WO disclosed
WO-2006005741-A2 PIPERDINE DERIVATIVES AS RENIN INHIBITORS SPEEDEL EXPERIMENTA AG (CH) 2006-01-19 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 (5 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-20090306064-A1 Substituted Piperidines as Renin Inhibitors REN, AGTR1, ACE MAPT 4266/4885MCOLN3 3829/4885LMNA 1162/4885
US-20080076766-A1 Piperidine Derivatives As Renin Inhibitor REN, AGTR1, ACE MAPT 4106/4885MCOLN3 3257/4885LMNA 572/4885
US-20070167433-A1 3,4,5-Substituted piperidines as therapeutic compounds CTSD, CTSL, CTSZ MAPT 529/4885MCOLN3 2754/4885LMNA 390/4885
US-20120115859-A1 3,4,5-SUBSTITUTED PIPERIDINES AS RENIN INHIBITORS REN, AGTR1, AGTR2 MAPT 4584/4885MCOLN3 2328/4885LMNA 536/4885
US-20090270380-A1 3,4,5-Substituted Piperidines as Renin Inhibitors REN, AGTR1, AGTR2 MAPT 4519/4885MCOLN3 2303/4885LMNA 508/4885

“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.