SCHEMBL4051563

SCHEMBL4051563

COC(=O)C(C)(C)C[C@@H]1CC[C@@H](OCc2ccc(OC)cc2)CN1S(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.43
PAX8 Q06710 1/20 0.43
FKBP1A P62942 1/20 0.43
ALDH1A1 P00352 2/20 0.43
USP2 O75604 1/20 0.43
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
TSHR P16473 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
PKM P14618 2/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MMP1 P03956 3/20 0.42
ADAM17 P78536 2/20 0.42
POLB P06746 2/20 0.42
MMP13 P45452 2/20 0.41
MMP2 P08253 1/20 0.41
MMP3 P08254 1/20 0.41
MMP7 P09237 1/20 0.41
KMT2A Q03164 2/20 0.40

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
SCHEMBL3933140 0.87 FKBP1A (0.46) RAB9APAX8FKBP1AALDH1A1USP2
SCHEMBL4162834 0.87 FKBP1A (0.46) RAB9APAX8FKBP1AALDH1A1USP2
SCHEMBL3933656 0.84 RAB9A (0.45) RAB9APAX8FKBP1AALDH1A1USP2
SCHEMBL3940677 0.83 FKBP1A (0.45) RAB9APAX8FKBP1AALDH1A1USP2
SCHEMBL3934944 0.80 ALDH1A1 (0.44) RAB9APAX8ALDH1A1LMNAGAA
SCHEMBL3942855 0.79 GAA (0.36) RAB9APAX8FKBP1AALDH1A1LMNA
SCHEMBL3932999 0.78 LMNA (0.45) RAB9APAX8FKBP1AALDH1A1USP2
SCHEMBL3930174 0.78 FKBP1A (0.42) RAB9APAX8FKBP1AALDH1A1USP2
SCHEMBL3935843 0.78 FKBP1A (0.44) RAB9APAX8FKBP1AALDH1A1USP2
SCHEMBL3935849 0.78 FKBP1A (0.44) RAB9APAX8FKBP1AALDH1A1USP2

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 RAB9A 234/4885PAX8 3785/4885FKBP1A 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.