SCHEMBL3942855

SCHEMBL3942855

COCCCCc1cc(CO[C@@H]2CC[C@@H](CC(C)(C)C(=O)OC)N(S(=O)(=O)c3ccc(C)cc3)C2)cc(C)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.36
FKBP1A P62942 7/20 0.35
ALDH1A1 P00352 2/20 0.31
KMT2A Q03164 2/20 0.31
CASP3 P42574 1/20 0.31
CASP7 P55210 1/20 0.31
MMP1 P03956 2/20 0.31
MMP9 P14780 2/20 0.31
RAB9A P51151 2/20 0.31
MMP2 P08253 1/20 0.31
MMP7 P09237 1/20 0.31
MMP12 P39900 1/20 0.31
MMP14 P50281 1/20 0.31
MMP15 P51511 1/20 0.31
MMP16 P51512 1/20 0.31
MMP26 Q9NRE1 1/20 0.31
PAX8 Q06710 1/20 0.31
ADAM17 P78536 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 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
SCHEMBL3932125 0.94 FKBP1A (0.37) GAAFKBP1AALDH1A1KMT2ACASP3
SCHEMBL3929383 0.90 FKBP1A (0.37) GAAFKBP1AALDH1A1KMT2ACASP3
SCHEMBL4050149 0.88 CNR2 (0.36) GAAFKBP1AALDH1A1KMT2ARAB9A
SCHEMBL4314282 0.86 FKBP1A (0.35) GAAFKBP1AALDH1A1KMT2ACASP3
SCHEMBL3942325 0.86 FKBP1A (0.35) GAAFKBP1AALDH1A1KMT2ACASP3
SCHEMBL4060012 0.85 CASP3 (0.36) GAAFKBP1AALDH1A1KMT2ACASP3
SCHEMBL4060017 0.85 CASP3 (0.36) GAAFKBP1AALDH1A1KMT2ACASP3
SCHEMBL3940425 0.83 FKBP1A (0.34) GAAFKBP1ACASP3CASP7
SCHEMBL4051563 0.79 RAB9A (0.43) GAAFKBP1AALDH1A1KMT2AMMP1
SCHEMBL3929617 0.77 POLB (0.38) GAAALDH1A1KMT2ALMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090306062-A1 2,5-Disubstituted Piperidines NOVARTIS AG (CH) 2009-12-10 US disclosed
WO-2009106599-A2 SUBSTITUTED PIPERIDINES AS THERAPEUTIC COMPOUNDS NOVARTIS AG (CH) 2009-09-03 WO disclosed
EP-2044059-A1 2,5-DISUBSTITUTED PIPERIDINES Speedel Experimenta AG (CH) 2009-04-08 EP disclosed
WO-2007141318-A1 2,5-DISUBSTITUTED PIPERIDINES SPEEDEL EXPERIMENTA AG (CH) 2007-12-13 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 (1 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-20090306062-A1 2,5-Disubstituted Piperidines REN, AGTR1, AGTR2 GAA 667/4885FKBP1A 2153/4885ALDH1A1 466/4885

“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.