SCHEMBL9933024

SCHEMBL9933024

COC(=O)N(C1c2ccccc2-c2ccccc21)[C@@H](CCCCNC(=O)[C@H](CCCCNC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 5/20 0.45
CA1 P00915 3/20 0.43
CA2 P00918 3/20 0.43
KLK7 P49862 2/20 0.42
KLK5 Q9Y337 2/20 0.42
CTSS P25774 1/20 0.42
CTSK P43235 1/20 0.42
JAK3 P52333 1/20 0.41
BTK Q06187 1/20 0.41
SIRT5 Q9NXA8 1/20 0.41
ALDH1A1 P00352 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL4599808 0.92 TPSAB1 (0.44) ALDH1A1
SCHEMBL2292771 0.92 TPSAB1 (0.44) ALDH1A1
SCHEMBL4600306 0.92 TPSAB1 (0.44) ALDH1A1
SCHEMBL4600478 0.91 TPSAB1 (0.43)
SCHEMBL4600039 0.90 KMT2A (0.47) JAK3BTK
SCHEMBL4599868 0.90 KMT2A (0.47) JAK3BTK
SCHEMBL1637220 0.90 KMT2A (0.47) JAK3BTK
SCHEMBL4612508 0.86 MALT1 (0.43) CTSSCTSK
SCHEMBL4717209 0.86 MALT1 (0.43) CTSSCTSK
SCHEMBL4600319 0.80 SYK (0.40) CTSSCTSK

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
WO-2012083046-A2 GALACTOSE CLUSTER-PHARMACOKINETIC MODULATOR TARGETING MOIETY FOR SIRNA ARROWHEAD RESEARCH CORPORATION (US) 2012-06-21 WO disclosed
US-20120157509-A1 GALACTOSE CLUSTER-PHARMACOKINETIC MODULATOR TARGETING MOIETY FOR siRNA ARROWHEAD RESEARCH CORPORATION 2012-06-21 US 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 CXCR3 2355/4885CA1 4772/4885CA2 4836/4885
US-20120157509-A1 GALACTOSE CLUSTER-PHARMACOKINETIC MODULATOR TARGETING MOIETY FOR siRNA GALK1, GALE, GALNT6 CXCR3 2355/4885CA1 4772/4885CA2 4836/4885

“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.