SCHEMBL9933936

SCHEMBL9933936

CC(C)(C)OC(=O)N(CCCCCC(=O)NCCCCC(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)C(=O)OC(C)(C)C

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TLR2 O60603 4/20 0.50
KMT2A Q03164 1/20 0.49
MDM2 Q00987 6/20 0.48
SIRT2 Q8IXJ6 2/20 0.46
TLR1 Q15399 1/20 0.45
SIRT1 Q96EB6 1/20 0.42
MDM4 O15151 1/20 0.42
TP53 P04637 1/20 0.42

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
SCHEMBL9933452 0.92 SIRT2 (0.52) TLR2KMT2AMDM2SIRT2TLR1
SCHEMBL14433000 0.85 TLR2 (0.59) TLR2KMT2AMDM2TLR1MDM4
SCHEMBL21326214 0.85 TLR2 (0.66) TLR2KMT2AMDM2SIRT2SIRT1
SCHEMBL21326215 0.85 TLR2 (0.66) TLR2KMT2AMDM2SIRT2SIRT1
SCHEMBL17747061 0.85 TLR2 (0.66) TLR2KMT2AMDM2SIRT2SIRT1
SCHEMBL17747033 0.85 TLR2 (0.66) TLR2KMT2AMDM2SIRT2SIRT1
SCHEMBL17747040 0.85 TLR2 (0.66) TLR2KMT2AMDM2SIRT2SIRT1
SCHEMBL21908195 0.85 TLR2 (0.66) TLR2KMT2AMDM2SIRT2SIRT1
SCHEMBL14877938 0.85 TLR2 (0.66) TLR2KMT2AMDM2SIRT2SIRT1
SCHEMBL17747043 0.85 TLR2 (0.66) TLR2KMT2AMDM2SIRT2SIRT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9796756-B2 Galactose cluster-pharmacokinetic modulator targeting moiety for siRNA Arrowhead Pharmaceuticals, Inc. (US) 2017-10-24 US disclosed
EP-3192800-A1 GALACTOSE CLUSTER-PHARMACOKINETIC MODULATOR TARGETING MOIETY FOR SIRNA Arrowhead Pharmaceuticals, Inc. (US) 2017-07-19 EP disclosed
EP-2652134-B1 GALACTOSE CLUSTER-PHARMACOKINETIC MODULATOR TARGETING MOIETY FOR SIRNA ARROWHEAD PHARMACEUTICALS INC (US) 2017-03-01 EP disclosed
US-20160102120-A1 Galactose Cluster-Pharmacokinetic Modulator Targeting Moiety for siRNA SIXTH STREETLENDING PARTNERS, AS THE ADMINISTRATIVE AGENT 2016-04-14 US disclosed
US-9249179-B2 Galactose cluster-pharmacokinetic modulator targeting moiety for siRNA Arrowhead Madison Inc. (US) 2016-02-02 US disclosed
EP-2652134-A2 GALACTOSE CLUSTER-PHARMACOKINETIC MODULATOR TARGETING MOIETY FOR SIRNA Arrowhead Research Corporation (US) 2013-10-23 EP disclosed
US-20120157509-A1 GALACTOSE CLUSTER-PHARMACOKINETIC MODULATOR TARGETING MOIETY FOR siRNA ARROWHEAD RESEARCH CORPORATION 2012-06-21 US disclosed
WO-2012083046-A2 GALACTOSE CLUSTER-PHARMACOKINETIC MODULATOR TARGETING MOIETY FOR SIRNA ARROWHEAD RESEARCH CORPORATION (US) 2012-06-21 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 (2 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-20160102120-A1 Galactose Cluster-Pharmacokinetic Modulator Targeting Moiety for siRNA GALK1, GALE, GALNT6 TLR2 2730/4885KMT2A 1963/4885MDM2 2432/4885
US-20120157509-A1 GALACTOSE CLUSTER-PHARMACOKINETIC MODULATOR TARGETING MOIETY FOR siRNA GALK1, GALE, GALNT6 TLR2 2730/4885KMT2A 1963/4885MDM2 2432/4885

“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.