SCHEMBL1038075

SCHEMBL1038075

Cc1ccc(S(=O)(=O)N2C[C@H](O)[C@@H](c3ccc(O)cc3)C[C@H]2CO)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.41
POLB P06746 1/20 0.40
MCOLN3 Q8TDD5 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NPSR1 Q6W5P4 2/20 0.39
ALDH1A1 P00352 5/20 0.38
LMNA P02545 4/20 0.38
KMT2A Q03164 2/20 0.38
MAPT P10636 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MAPK1 P28482 1/20 0.38
TSHR P16473 2/20 0.37
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP7 P09237 1/20 0.36
MMP9 P14780 1/20 0.36
MMP12 P39900 1/20 0.36
MMP14 P50281 1/20 0.36
MMP15 P51511 1/20 0.36
MMP16 P51512 1/20 0.36

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
SCHEMBL13435377 0.90 NPSR1 (0.51) POLBMCOLN3L3MBTL1NPSR1ALDH1A1
SCHEMBL1039792 0.88 LMNA (0.51) NPSR1ALDH1A1LMNAKMT2AMAPT
SCHEMBL5506728 0.88 LMNA (0.51) NPSR1ALDH1A1LMNAKMT2AMAPT
SCHEMBL1035128 0.85 TSHR (0.48) POLBNPSR1ALDH1A1LMNAKMT2A
SCHEMBL1038263 0.84 LMNA (0.40) POLBMCOLN3L3MBTL1NPSR1ALDH1A1
SCHEMBL1040056 0.83 MMP1 (0.41) ESR1NPSR1ALDH1A1LMNAKMT2A
SCHEMBL9684628 0.79 MCOLN3 (0.50) POLBMCOLN3L3MBTL1NPSR1ALDH1A1
SCHEMBL9685672 0.79 MCOLN3 (0.50) POLBMCOLN3L3MBTL1NPSR1ALDH1A1
SCHEMBL2389980 0.79 MCOLN3 (0.50) POLBMCOLN3L3MBTL1NPSR1ALDH1A1
SCHEMBL9380136 0.79 MCOLN3 (0.50) POLBMCOLN3L3MBTL1NPSR1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2049514-B1 NITRATE ESTERS OF PIPERIDINES NOVARTIS AG (CH) 2011-01-26 EP disclosed
EP-1863803-B1 SUBSTITUTED PIPERIDINES NOVARTIS AG (CH) 2010-09-01 EP disclosed
US-7687495-B2 Substituted piperidines SPEEDEL EXPERIMENTA AG (CH) 2010-03-30 US disclosed
US-20100029628-A1 2,4,5-Substituted Piperidines as Renin Inhibitors NOVARTIS AG (CH) 2010-02-04 US disclosed
US-20090325947-A1 NITRATE ESTERS OF PIPERIDINES NOVARTIS AG (CH) 2009-12-31 US disclosed
EP-2049514-A1 NITRATE ESTERS OF PIPERIDINES Speedel Experimenta AG (CH) 2009-04-22 EP disclosed
EP-1958634-A2 Substituted piperidines as inhibitors of beta-secretase, cathepsin D, plasmepsin II and/or HIV protease Speedel Experimenta AG (CH) 2008-08-20 EP disclosed
US-20080171748-A1 Substituted piperidines NOVARTIS AG (CH) 2008-07-17 US disclosed
EP-1908762-A2 Organic compounds Speedel Experimenta AG (CH) 2008-04-09 EP disclosed
EP-1908761-A1 Organic compounds Speedel Experimenta AG (CH) 2008-04-09 EP disclosed
EP-1897879-A2 2,4,5 substituted piperidines as renin inhibitors Speedel Experimenta AG (CH) 2008-03-12 EP disclosed
WO-2008017685-A1 NITRATE ESTERS OF PIPERIDINES SPEEDEL EXPERIMENTA AG (CH) 2008-02-14 WO disclosed
EP-1863803-A2 SUBSTITUTED PIPERIDINES Speedel Experimenta AG (CH) 2007-12-12 EP disclosed
WO-2006103277-A2 2 , 4 , 5-SUBSTITUTED PIPERIDINES AS RENIN INHIBITORS SPEEDEL EXPERIMENTA AG (CH) 2006-10-05 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 (3 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-20100029628-A1 2,4,5-Substituted Piperidines as Renin Inhibitors REN, AGT, AGTR1 ESR1 3067/4885POLB 2005/4885MCOLN3 4835/4885
US-20080171748-A1 Substituted piperidines REN, ACE, AGTR2 ESR1 2613/4885POLB 2217/4885MCOLN3 4449/4885
US-20090325947-A1 NITRATE ESTERS OF PIPERIDINES NOS2, NOS1, NOS3 ESR1 3586/4885POLB 1015/4885MCOLN3 4175/4885

“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.