SCHEMBL13435377

SCHEMBL13435377

Cc1ccc(S(=O)(=O)N2C[C@H](O)[C@@H](c3ccccc3)C[C@H]2CO)cc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.51
TSHR P16473 3/20 0.46
GAA P10253 3/20 0.46
POLB P06746 1/20 0.44
MMP2 P08253 1/20 0.42
MAPT P10636 3/20 0.41
ALDH1A1 P00352 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 2/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 3/20 0.40
MCOLN3 Q8TDD5 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL1038075 0.90 ESR1 (0.41) NPSR1TSHRGAAPOLBMMP2
SCHEMBL5506728 0.87 LMNA (0.51) NPSR1TSHRGAAMMP2MAPT
SCHEMBL1039792 0.87 LMNA (0.51) NPSR1TSHRGAAMMP2MAPT
SCHEMBL1038263 0.85 LMNA (0.40) NPSR1TSHRGAAPOLBMAPT
SCHEMBL20005783 0.84 NPSR1 (0.54) NPSR1TSHRGAAPOLBMMP2
SCHEMBL1035128 0.84 TSHR (0.48) NPSR1TSHRGAAPOLBMMP2
SCHEMBL1040056 0.82 MMP1 (0.41) NPSR1TSHRGAAMMP2MAPT
SCHEMBL2389980 0.80 MCOLN3 (0.50) NPSR1GAAPOLBMMP2ALDH1A1
SCHEMBL9685672 0.80 MCOLN3 (0.50) NPSR1GAAPOLBMMP2ALDH1A1
SCHEMBL9380136 0.80 MCOLN3 (0.50) NPSR1GAAPOLBMMP2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20080171748-A1 Substituted piperidines NOVARTIS AG (CH) 2008-07-17 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-20100029628-A1 2,4,5-Substituted Piperidines as Renin Inhibitors REN, AGT, AGTR1 NPSR1 2144/4885TSHR 3778/4885GAA 1828/4885
US-20080171748-A1 Substituted piperidines REN, ACE, AGTR2 NPSR1 189/4885TSHR 1463/4885GAA 208/4885

“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.