SCHEMBL422987

SCHEMBL422987

CON(C)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](NC(C)=O)C(C)(C)C5CC[C@]43C)[C@H]2C1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.41
HSD11B2 P80365 1/20 0.41
RORC P51449 2/20 0.40
PTPN1 P18031 3/20 0.39
GPBAR1 Q8TDU6 3/20 0.38
CES2 O00748 1/20 0.38
TOP2A P11388 1/20 0.38
CES1 P23141 1/20 0.38
USP7 Q93009 1/20 0.36

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
SCHEMBL417878 0.90 HSD11B1 (0.42) HSD11B1HSD11B2RORCPTPN1GPBAR1
SCHEMBL419704 0.87 PTPN1 (0.52) RORCPTPN1GPBAR1CES2TOP2A
SCHEMBL422821 0.87 RORC (0.42) HSD11B1HSD11B2RORCPTPN1GPBAR1
SCHEMBL418815 0.86 HSD11B1 (0.43) HSD11B1HSD11B2PTPN1GPBAR1
SCHEMBL419086 0.85 HSD11B1 (0.47) HSD11B1HSD11B2
SCHEMBL421035 0.85 HSD11B1 (0.45) HSD11B1HSD11B2CES2CES1
SCHEMBL420970 0.85 EGLN2 (0.45) HSD11B1HSD11B2RORCPTPN1GPBAR1
SCHEMBL422875 0.76 CES2 (0.59) HSD11B1HSD11B2PTPN1CES2CES1
SCHEMBL420039 0.76 HSD11B1 (0.56) HSD11B1HSD11B2
SCHEMBL423196 0.76 PTPN1 (0.55) RORCPTPN1GPBAR1CES2TOP2A

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 HSD11B1 1/4885HSD11B2 3/4885RORC 512/4885

“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.