Sugi Predict

Sugi Predict / Compounds / SCHEMBL2920573

SCHEMBL2920573

SCHEMBL2920573

COCCCOc1ccc([C@H]2C[C@H](CCO)N(S(=O)(=O)c3ccc(C)cc3)C[C@@H]2OCc2ccc3c(c2)N(CCCOC)CCO3)cc1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 1/20 0.34
▸ ESR1 P03372 1/20 0.34
▸ ESR2 Q92731 1/20 0.34
▸ CASP3 P42574 2/20 0.33
▸ CASP7 P55210 2/20 0.33
▸ KMT2A Q03164 2/20 0.32
▸ RORC P51449 5/20 0.32
▸ MMP1 P03956 2/20 0.32
▸ ADAM17 P78536 1/20 0.32
▸ REN P00797 2/20 0.32
▸ POLB P06746 1/20 0.31
▸ MMP2 P08253 1/20 0.31
▸ MMP3 P08254 1/20 0.31
▸ MMP7 P09237 1/20 0.31
▸ MMP13 P45452 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ FKBP1A P62942 1/20 0.31

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
SCHEMBL2916824 0.96 FKBP1A (0.35) CYP2C9KMT2AFKBP1A
SCHEMBL2923354 0.96 FKBP1A (0.35) CYP2C9KMT2AFKBP1A
SCHEMBL2924719 0.94 CYP2C9 (0.35) CYP2C9ESR1ESR2CASP3CASP7
SCHEMBL2919237 0.93 RORC (0.35) CYP2C9ESR1ESR2CASP3CASP7
SCHEMBL2919675 0.93 CYP2C9 (0.35) CYP2C9ESR1ESR2CASP3CASP7
SCHEMBL2919239 0.93 RORC (0.35) CYP2C9ESR1ESR2CASP3CASP7
SCHEMBL2919274 0.93 RORC (0.35) CYP2C9ESR1ESR2CASP3CASP7
SCHEMBL2920480 0.93 CASP3 (0.34) CYP2C9ESR1ESR2CASP3CASP7
SCHEMBL2922224 0.93 CYP2C9 (0.34) CYP2C9CASP3KMT2ARORCREN
SCHEMBL2921908 0.92 CYP2C9 (0.35) CYP2C9ESR1ESR2CASP3CASP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-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 CYP2C9 3835/4885ESR1 3067/4885ESR2 1484/4885
US-20080171748-A1 Substituted piperidines REN, ACE, AGTR2 CYP2C9 171/4885ESR1 2613/4885ESR2 1338/4885

“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.