SCHEMBL423196

SCHEMBL423196

CN(O)C(=O)[C@@]1(C)CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@]43C)[C@H]2C1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 8/20 0.55
RORC P51449 3/20 0.52
CES2 O00748 1/20 0.51
TOP2A P11388 1/20 0.51
CES1 P23141 1/20 0.51
USP7 Q93009 1/20 0.48
GPBAR1 Q8TDU6 5/20 0.48
PRKCD Q05655 1/20 0.48
ALB P02768 2/20 0.47
USP2 O75604 1/20 0.47
LMNA P02545 1/20 0.47
HIF1A Q16665 1/20 0.47
AKR1B10 O60218 1/20 0.47
POLB P06746 1/20 0.47
GLI1 P08151 1/20 0.47
AKR1B1 P15121 1/20 0.47
NT5E P21589 1/20 0.47
DPP4 P27487 1/20 0.47
SAE1 Q9UBE0 1/20 0.47
UBA2 Q9UBT2 1/20 0.47

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
SCHEMBL421444 0.90 PTPN1 (0.44) PTPN1RORCCES2TOP2ACES1
SCHEMBL419704 0.89 PTPN1 (0.52) PTPN1RORCCES2TOP2ACES1
SCHEMBL417878 0.86 HSD11B1 (0.42) PTPN1RORCCES2TOP2ACES1
SCHEMBL1721265 0.86 PTPN1 (0.58) PTPN1RORCCES2TOP2ACES1
SCHEMBL420039 0.85 HSD11B1 (0.56)
SCHEMBL422274 0.85 PTPN1 (0.57) PTPN1RORCCES2TOP2ACES1
SCHEMBL419031 0.83 HSD11B1 (0.44) PTPN1RORCCES2CES1LMNA
SCHEMBL421828 0.82 HSD11B1 (0.55) PTPN1RORCCES2TOP2ACES1
SCHEMBL14350531 0.81 PTPN1 (0.65) PTPN1RORCCES2TOP2ACES1
SCHEMBL851609 0.81 PTPN1 (0.65) PTPN1RORCCES2TOP2ACES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8476315-B2 N-hydroxy C29-amide derivatives of oleandrane ONEPHARM RESEARCH & DEVELOPMENT GMBH (AT) 2013-07-02 US disclosed
US-20120022154-A1 N-HYDROXY C29-AMIDE DERIVATIVES OF OLEANDRANE ONEPHARM RESEARCH & DEVELOPMENT GMBH (AT) 2012-01-26 US disclosed
EP-2228380-A1 Novel triterpene derivatives onepharm Research & Development GmbH (AT) 2010-09-15 EP 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-20120022154-A1 N-HYDROXY C29-AMIDE DERIVATIVES OF OLEANDRANE HSD11B1, CYP11B1, HSD11B2 PTPN1 4379/4885RORC 512/4885CES2 1285/4885

“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.