SCHEMBL4060017

SCHEMBL4060017

COCCCCc1cc(COC2CCC(COS(C)(=O)=O)N(S(=O)(=O)c3ccc(C)cc3)C2)cc(C)n1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 10/20 0.36
CASP7 P55210 9/20 0.36
FKBP1A P62942 6/20 0.34
GAA P10253 1/20 0.33
CASP1 P29466 1/20 0.31
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL4060012 1.00 CASP3 (0.36) CASP3CASP7FKBP1AGAACASP1
SCHEMBL3929383 0.91 FKBP1A (0.37) CASP3CASP7FKBP1AGAACASP1
SCHEMBL4314282 0.91 FKBP1A (0.35) CASP3CASP7FKBP1AGAACASP1
SCHEMBL3942325 0.91 FKBP1A (0.35) CASP3CASP7FKBP1AGAACASP1
SCHEMBL3940425 0.89 FKBP1A (0.34) CASP3CASP7FKBP1AGAA
SCHEMBL3932125 0.86 FKBP1A (0.37) CASP3CASP7FKBP1AGAACASP1
SCHEMBL3942855 0.85 GAA (0.36) CASP3CASP7FKBP1AGAAALDH1A1
SCHEMBL4050149 0.81 CNR2 (0.36) FKBP1AGAAALDH1A1LMNAKMT2A
SCHEMBL3935732 0.75 CASP3 (0.39) CASP3CASP7GAAKMT2A
SCHEMBL3935727 0.75 CASP3 (0.39) CASP3CASP7GAAKMT2A

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 2 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

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 CASP3 4629/4885CASP7 4322/4885FKBP1A 2153/4885

“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.