SCHEMBL2334741

SCHEMBL2334741

Cc1ccc(S(=O)(=O)OCCOCc2cccc(F)c2)cc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PKM P14618 4/20 0.56
ALDH1A1 P00352 3/20 0.56
LMNA P02545 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
POLB P06746 1/20 0.41
IDO1 P14902 2/20 0.41
AGXT P21549 2/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA9 Q16790 1/20 0.40
AR P10275 3/20 0.39
NOS3 P29474 2/20 0.39
NOS1 P29475 2/20 0.39
NOS2 P35228 2/20 0.39
CYP19A1 P11511 1/20 0.39
GAA P10253 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
SCHEMBL24459076 0.91 LMNA (0.47) PKMALDH1A1LMNASMN1; SMN2POLB
SCHEMBL776918 0.88 ALDH1A1 (0.50) PKMALDH1A1IDO1AGXTCA1
SCHEMBL26702843 0.86 LMNA (0.44) PKMALDH1A1LMNASMN1; SMN2POLB
SCHEMBL20547906 0.86 LMNA (0.44) PKMALDH1A1LMNASMN1; SMN2POLB
SCHEMBL7723991 0.85 ALDH1A1 (0.46) PKMALDH1A1CA12CA1CA9
SCHEMBL578328 0.84 ALDH1A1 (0.51) PKMALDH1A1LMNASMN1; SMN2CA12
SCHEMBL8780822 0.83 ALDH1A1 (0.44) PKMALDH1A1CYP19A1
SCHEMBL20958124 0.82 ALDH1A1 (0.50) PKMALDH1A1LMNASMN1; SMN2CA12
SCHEMBL12595169 0.82 ALDH1A1 (0.50) PKMALDH1A1LMNASMN1; SMN2CA12
SCHEMBL18428696 0.82 ALDH1A1 (0.50) PKMALDH1A1LMNASMN1; SMN2CA12

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
EP-1776359-B1 PIPERIDINE DERIVATIVES AS RENIN INHIBITORS NOVARTIS AG (CH) 2011-08-24 EP disclosed
US-20080076766-A1 Piperidine Derivatives As Renin Inhibitor SPEEDEL EXPERIMENTA AG (CH) 2008-03-27 US 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-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 (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-20080076766-A1 Piperidine Derivatives As Renin Inhibitor REN, AGTR1, ACE PKM 492/4885ALDH1A1 1615/4885LMNA 572/4885
US-20070167433-A1 3,4,5-Substituted piperidines as therapeutic compounds CTSD, CTSL, CTSZ PKM 726/4885ALDH1A1 3787/4885LMNA 390/4885

“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.