SCHEMBL422801

SCHEMBL422801

CC1(C)C2CC[C@]3(C)[C@H](CC[C@@H]4[C@H]5C[C@@](C)(C(=O)NO)CC[C@]5(C)CC[C@]43C)[C@@]2(C)CC[C@@H]1N

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 4/20 0.45
RORC P51449 2/20 0.45
EGLN2 Q96KS0 1/20 0.44
EGLN1 Q9GZT9 1/20 0.44
EGLN3 Q9H6Z9 1/20 0.44
P4HTM Q9NXG6 1/20 0.44
HSD11B1 P28845 3/20 0.42
HSD11B2 P80365 3/20 0.42
CES2 O00748 1/20 0.40
TOP2A P11388 1/20 0.40
CES1 P23141 1/20 0.40
USP7 Q93009 1/20 0.39
GPBAR1 Q8TDU6 2/20 0.38
PRKCD Q05655 1/20 0.38

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
SCHEMBL419650 0.90 HSD11B1 (0.45) PTPN1RORCHSD11B1HSD11B2GPBAR1
SCHEMBL422274 0.88 PTPN1 (0.57) PTPN1RORCEGLN2EGLN1EGLN3
SCHEMBL421444 0.86 PTPN1 (0.44) PTPN1RORCHSD11B1HSD11B2CES2
SCHEMBL420970 0.85 EGLN2 (0.45) PTPN1RORCEGLN2EGLN1EGLN3
SCHEMBL420589 0.84 HSD11B1 (0.46) PTPN1RORCEGLN2EGLN1EGLN3
SCHEMBL422821 0.84 RORC (0.42) PTPN1RORCHSD11B1HSD11B2CES2
SCHEMBL422954 0.84 HSD11B1 (0.56) HSD11B1HSD11B2
SCHEMBL421828 0.79 HSD11B1 (0.55) PTPN1RORCEGLN2EGLN1EGLN3
SCHEMBL1721265 0.78 PTPN1 (0.58) PTPN1RORCEGLN2EGLN1EGLN3
SCHEMBL420482 0.77 CA9 (0.49) HSD11B1HSD11B2

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 512/4885EGLN2 707/4885

“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.