SCHEMBL3465558

SCHEMBL3465558

Cc1ccc(S(=O)(=O)OC2=CC(=O)N(C(=O)OC(C)(C)C)C(C(=O)OCc3ccccc3)C2)cc1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 9/20 0.48
ELANE P08246 1/20 0.43
CA1 P00915 4/20 0.42
CA2 P00918 4/20 0.42
HPGD P15428 1/20 0.42
LMNA P02545 1/20 0.39
FKBP1A P62942 2/20 0.38
MAPT P10636 1/20 0.38
GPBAR1 Q8TDU6 1/20 0.38

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
SCHEMBL2923048 1.00 P2RX7 (0.48) P2RX7ELANECA1CA2HPGD
SCHEMBL31390581 0.76 FKBP1A (0.48) ELANEHPGDFKBP1A
SCHEMBL16084964 0.76 MCL1 (0.49) P2RX7ELANECA1CA2HPGD
SCHEMBL6787595 0.76 MCL1 (0.49) P2RX7ELANECA1CA2HPGD
SCHEMBL26116158 0.74 P2RX7 (0.43) P2RX7ELANECA1CA2HPGD
SCHEMBL14348086 0.73 MMP1 (0.56) P2RX7CA1CA2LMNAFKBP1A
SCHEMBL31390578 0.73 FKBP1A (0.45) HPGDFKBP1A
SCHEMBL2924800 0.72 FKBP1A (0.45) HPGDFKBP1A
SCHEMBL2923458 0.72 FABP7 (0.41) LMNAFKBP1AMAPT
SCHEMBL3312151 0.72 KMT2A (0.39) P2RX7LMNA

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 9 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
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
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 (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 P2RX7 2898/4885ELANE 1100/4885CA1 4294/4885
US-20080171748-A1 Substituted piperidines REN, ACE, AGTR2 P2RX7 1480/4885ELANE 723/4885CA1 4246/4885

“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.