SCHEMBL3698541

SCHEMBL3698541

CNC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4C[C@H](OC(=O)Oc5ccc([N+](=O)[O-])cc5)CC[C@]4(C)[C@H]3CC[C@]12C

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.56
VDR P11473 1/20 0.56
ST6GAL1 P15907 8/20 0.54
ST3GAL1 Q11201 2/20 0.54
ST3GAL3 Q11203 1/20 0.53

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
SCHEMBL3695768 0.85 VDR (0.68) USP2VDRST6GAL1ST3GAL1
SCHEMBL3691830 0.85 VDR (0.68) USP2VDRST6GAL1ST3GAL1
SCHEMBL14802251 0.82 VDR (0.66) USP2VDRST6GAL1
SCHEMBL23937017 0.81 ST6GAL1 (0.63) USP2VDRST6GAL1ST3GAL1
SCHEMBL23923591 0.81 ST6GAL1 (0.63) USP2VDRST6GAL1ST3GAL1
SCHEMBL23923592 0.81 ST6GAL1 (0.63) USP2VDRST6GAL1ST3GAL1
SCHEMBL18575998 0.81 ST6GAL1 (0.63) USP2VDRST6GAL1ST3GAL1
SCHEMBL23923594 0.81 ST6GAL1 (0.63) USP2VDRST6GAL1ST3GAL1
SCHEMBL9620139 0.81 VDR (0.62) USP2VDRST6GAL1
SCHEMBL21567178 0.81 USP2 (0.60) USP2VDRST6GAL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2081949-B1 TRIPARTITE OLIGONUCLEOTIDE COMPLEXES AND METHODS FOR GENE SILENCING BY RNA INTERFERENCE GE HEALTHCARE DHARMACON INC (US) 2014-12-10 EP disclosed
US-8809514-B2 Tripartite oligonucleotide complexes and methods for gene silencing by RNA interference GE HEALTHCARE DHARMACON, INC. (US) 2014-08-19 US disclosed
US-8501706-B2 Duplex oligonucleotide complexes and methods for gene silencing by RNA interference DHARMACON, INC. (US) 2013-08-06 US disclosed
EP-2064223-B1 Duplex oligonucleotide complexes and methods for gene silencing by RNA interference DHARMACON INC (US) 2013-04-24 EP disclosed
US-20120322855-A1 Duplex Oligonucleotide Complexes and Methods for Gene Silencing by RNA Interference DHARMACON, INC. (US) 2012-12-20 US disclosed
US-8252755-B2 Duplex oligonucleotide complexes and methods for gene silencing by RNA interference DHARMACON, INC. (US) 2012-08-28 US disclosed
US-20100093085-A1 TRIPARTITE OLIGONUCLEOTIDE COMPLEXES AND METHODS FOR GENE SILENCING BY RNA INTERFERENCE DHARMACON, INC (US) 2010-04-15 US disclosed
EP-2081949-A2 TRIPARTITE OLIGONUCLEOTIDE COMPLEXES AND METHODS FOR GENE SILENCING BY RNA INTERFERENCE Dharmacon, Inc. (US) 2009-07-29 EP disclosed
EP-2064223-A2 DUPLEX OLIGONUCLEOTIDE COMPLEXES AND METHODS FOR GENE SILENCING BY RNA INTERFERENCE Dharmacon, Inc. (US) 2009-06-03 EP disclosed
US-20080085869-A1 Sense strand, antisense strand having complementarity to both the sense strand and a target gene, forming a duplex, a conjugate, facilitating cellular delivery, and a linker molecule; facilitates delivery to a cell, tissue or organism DHARMACON, INC. (US) 2008-04-10 US disclosed
WO-2008036825-A2 DUPLEX OLIGONUCLEOTIDE COMPLEXES AND METHODS FOR GENE SILENCING BY RNA INTERFERENCE DHARMACON, INC. (US) 2008-03-27 WO disclosed
WO-2008036841-A2 TRIPARTITE OLIGONUCLEOTIDE COMPLEXES AND METHODS FOR GENE SILENCING BY RNA INTERFERENCE DHARMACON, INC. (US) 2008-03-27 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 (3 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-20100093085-A1 TRIPARTITE OLIGONUCLEOTIDE COMPLEXES AND METHODS FOR GENE SILENCING BY RNA INTERFERENCE SNRPE, DCLRE1B, RNASE1 USP2 1609/4885VDR 4400/4885ST6GAL1 2482/4885
US-20120322855-A1 Duplex Oligonucleotide Complexes and Methods for Gene Silencing by RNA Interference SNRPE, AGO2, DCLRE1B USP2 2260/4885VDR 4596/4885ST6GAL1 3283/4885
US-20080085869-A1 Sense strand, antisense strand having complementarity to both the sense strand and a target gene, forming a duplex, a conjugate, facilitating cellular delivery, and a linker molecule; facilitates delivery to a cell, tissue or organism SRRT, SNRPE, SSBP1 USP2 2473/4885VDR 4317/4885ST6GAL1 2785/4885

“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.