Sugi Predict

Sugi Predict / Compounds / SCHEMBL2289677

SCHEMBL2289677

SCHEMBL2289677

CC(C)(C)OC(=O)NCCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)OCc1ccccc1

nearest known ligand 0.74

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KLK7 P49862 2/20 0.54
▸ KLK5 Q9Y337 2/20 0.54
▸ HDAC1 Q13547 1/20 0.54
▸ HDAC2 Q92769 1/20 0.54
▸ TLR2 O60603 1/20 0.53
▸ TLR1 Q15399 1/20 0.53
▸ KMT2A Q03164 3/20 0.51
▸ MAPT P10636 3/20 0.51
▸ ITGB3 P05106 1/20 0.50
▸ ITGA2B P08514 1/20 0.50
▸ MDM2 Q00987 1/20 0.49
▸ POLB P06746 1/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ MEN1 O00255 2/20 0.47
▸ RECQL P46063 1/20 0.47
▸ PAX8 Q06710 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47

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
SCHEMBL31011377 1.00 KLK7 (0.54) KLK7KLK5HDAC1HDAC2TLR2
SCHEMBL30631751 1.00 KLK7 (0.54) KLK7KLK5HDAC1HDAC2TLR2
SCHEMBL14064950 1.00 KLK7 (0.54) KLK7KLK5HDAC1HDAC2TLR2
SCHEMBL2289683 1.00 KLK7 (0.54) KLK7KLK5HDAC1HDAC2TLR2
SCHEMBL30266783 0.97 KLK7 (0.51) KLK7KLK5HDAC1HDAC2TLR2
SCHEMBL28443557 0.97 KLK7 (0.51) KLK7KLK5HDAC1HDAC2TLR2
SCHEMBL30266828 0.97 KLK7 (0.51) KLK7KLK5HDAC1HDAC2TLR2
SCHEMBL28434464 0.97 KLK7 (0.51) KLK7KLK5HDAC1HDAC2TLR2
SCHEMBL28442382 0.97 KLK7 (0.51) KLK7KLK5HDAC1HDAC2TLR2
SCHEMBL30266749 0.97 KLK7 (0.51) KLK7KLK5HDAC1HDAC2TLR2

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 66 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3630848-B1 PROCESS FOR GALNAC OLIGONUCLEOTIDE CONJUGATES HOFFMANN LA ROCHE (CH) 2023-10-04 — — EP disclosed
CN-111484543-B Lipopeptide TLR2 agonist and medicinal composition and application thereof 复旦大学 2023-03-28 — — CN disclosed
CN-108738321-B GalNAc cluster phosphoramidites 豪夫迈·罗氏有限公司 2021-06-11 — — CN disclosed
US-11021503-B2 Process for GalNAc oligonucleotide conjugates HOFFMANN-LA ROCHE INC. (US) 2021-06-01 — — US disclosed
CN-108738321-A9 GalNAc cluster phosphoramidites 豪夫迈·罗氏有限公司 2021-01-29 — — CN disclosed
EP-3377510-B1 GALNAC CLUSTER PHOSPHORAMIDITE HOFFMANN LA ROCHE (CH) 2020-12-02 — — EP disclosed
US-10590156-B2 Galnac cluster phosphoramidite HOFFMANN-LA ROCHE INC. (US) 2020-03-17 — — US disclosed
EP-3331892-B1 PROCESSES FOR THE PREPARATION OF GALNAC ACID DERIVATIVES HOFFMANN LA ROCHE (CH) 2019-07-03 — — EP disclosed
US-10316316-B2 Compositions for targeted delivery of siRNA Arrowhead Pharmaceuticals, Inc. (US) 2019-06-11 — — US disclosed
US-10316316-B2 Compositions for targeted delivery of siRNA Arrowhead Pharmaceuticals, Inc. (US) 2019-06-11 — — US disclosed
US-20120157509-A1 GALACTOSE CLUSTER-PHARMACOKINETIC MODULATOR TARGETING MOIETY FOR siRNA ARROWHEAD RESEARCH CORPORATION 2012-06-21 — — US disclosed
US-20120157509-A1 GALACTOSE CLUSTER-PHARMACOKINETIC MODULATOR TARGETING MOIETY FOR siRNA ARROWHEAD RESEARCH CORPORATION 2012-06-21 — — US disclosed
WO-2011104169-A1 COMPOSITIONS FOR TARGETED DELIVERY OF SIRNA F. HOFFMANN-LA ROCHE AG (CH) 2011-09-01 — — WO disclosed
WO-2011104169-A1 COMPOSITIONS FOR TARGETED DELIVERY OF SIRNA F. HOFFMANN-LA ROCHE AG (CH) 2011-09-01 — — WO disclosed
US-20110207799-A1 Compositions for Targeted Delivery of siRNA ROCHE MADISON INC. (US) 2011-08-25 — — US disclosed
US-20110207799-A1 Compositions for Targeted Delivery of siRNA ROCHE MADISON INC. (US) 2011-08-25 — — US disclosed
US-20110207799-A1 Compositions for Targeted Delivery of siRNA ROCHE MADISON INC. (US) 2011-08-25 — — US disclosed
US-20100136034-A1 NOVEL MULTIMERIC MOLECULES, A PROCESS FOR PREPARING THE SAME AND THE USE THEREOF FOR MANUFACTURING MEDICINAL DRUGS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2010-06-03 — — US disclosed
US-7163921-B1 Peptide derivatives and medicinal compositions NIPPON SHINYAKU CO., LTD. (JP) 2007-01-16 — — US disclosed
EP-1275657-A1 PEPTIDE DERIVATIVES AND MEDICINAL COMPOSITIONS Nippon Shinyaku Co., Ltd. (JP) 2003-01-15 — — 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 (6 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-11021503-B2 Process for GalNAc oligonucleotide conjugates CSGALNACT1, ALG1, ALG8 KLK7 821/4885KLK5 1392/4885HDAC1 948/4885
US-20100136034-A1 NOVEL MULTIMERIC MOLECULES, A PROCESS FOR PREPARING THE SAME AND THE USE THEREOF FOR MANUFACTURING MEDICINAL DRUGS TNFRSF1A, TNFRSF9, CD40 KLK7 1832/4885KLK5 2392/4885HDAC1 4823/4885
US-10316316-B2 Compositions for targeted delivery of siRNA PHAX, RNASE1, SNRPE KLK7 2914/4885KLK5 3987/4885HDAC1 3040/4885
US-20120157509-A1 GALACTOSE CLUSTER-PHARMACOKINETIC MODULATOR TARGETING MOIETY FOR siRNA GALK1, GALE, GALNT6 KLK7 2343/4885KLK5 2525/4885HDAC1 696/4885
US-10590156-B2 Galnac cluster phosphoramidite B4GALT1, FUT5, FUT6 KLK7 2145/4885KLK5 2906/4885HDAC1 1908/4885
US-20110207799-A1 Compositions for Targeted Delivery of siRNA PHAX, RNASE1, SNRPE KLK7 2914/4885KLK5 3987/4885HDAC1 3040/4885

“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.