SCHEMBL18554108

SCHEMBL18554108

CC(C)NC(=O)[C@H](Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1)NC(=O)OC(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 2/20 0.51
CTSS P25774 7/20 0.48
CTSK P43235 6/20 0.48
CTSB P07858 2/20 0.47
CTSL P07711 1/20 0.47
PSMB5 P28074 3/20 0.46
ITGB3 P05106 1/20 0.44
ITGA2B P08514 1/20 0.44
REN P00797 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
AKT1 P31749 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
SCHEMBL18554105 1.00 AAK1 (0.51) AAK1CTSSCTSKCTSBCTSL
SCHEMBL21732913 0.88 AAK1 (0.51) AAK1CTSSCTSKCTSBCTSL
SCHEMBL1818990 0.88 ITGB3 (0.56) AAK1CTSSCTSKCTSBCTSL
SCHEMBL1818988 0.88 ITGB3 (0.56) AAK1CTSSCTSKCTSBCTSL
SCHEMBL17459578 0.88 AAK1 (0.51) AAK1CTSSCTSKCTSBCTSL
SCHEMBL5892821 0.88 ITGB3 (0.56) AAK1CTSSCTSKCTSBCTSL
SCHEMBL17459580 0.88 AAK1 (0.51) AAK1CTSSCTSKCTSBCTSL
SCHEMBL30400176 0.87 AAK1 (0.50) AAK1CTSSCTSKCTSBCTSL
SCHEMBL539839 0.87 AAK1 (0.50) AAK1CTSSCTSKCTSBCTSL
SCHEMBL539840 0.87 AAK1 (0.50) AAK1CTSSCTSKCTSBCTSL

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-20240415830-A1 COMPOSITION AND METHODS OF USE OF NOVEL PHENYLALANINE SMALL ORGANIC COMPOUNDS TO DIRECTLY MODULATE PCSK9 PROTEIN ACTIVITY SRX CARDIO LLC (US) 2024-12-19 US disclosed
US-11944619-B2 Phenylalanine small organic compounds to directly modulate PCSK9 protein activity SRX CARDIO, LLC (US) 2024-04-02 US disclosed
EP-3337497-B1 COMPOSITION AND METHODS OF USE OF NOVEL PHENYLALANINE SMALL ORGANIC COMPOUNDS TO DIRECTLY MODULATE PCSK9 PROTEIN ACTIVITY SRX CARDIO LLC (US) 2023-07-12 EP disclosed
US-20210236481-A1 COMPOSITION AND METHODS OF USE OF NOVEL PHENYLALANINE SMALL ORGANIC COMPOUNDS TO DIRECTLY MODULATE PCSK9 PROTEIN ACTIVITY SRX CARDIO, LLC 2021-08-05 US disclosed
US-10821106-B2 Composition and methods of use of novel phenylalanine small organic compounds to directly modulate PCSK9 protein activity SRX CARDIO, LLC 2020-11-03 US disclosed
US-20180237381-A1 COMPOSITION AND METHODS OF USE OF NOVEL PHENYLALANINE SMALL ORGANIC COMPOUNDS TO DIRECTLY MODULATE PCSK9 PROTEIN ACTIVITY SRX CARDIO, LLC 2018-08-23 US disclosed
EP-3337497-A1 COMPOSITION AND METHODS OF USE OF NOVEL PHENYLALANINE SMALL ORGANIC COMPOUNDS TO DIRECTLY MODULATE PCSK9 PROTEIN ACTIVITY Portola Pharmaceuticals, Inc. (US) 2018-06-27 EP disclosed
WO-2017034994-A1 COMPOSITION AND METHODS OF USE OF NOVEL PHENYLALANINE SMALL ORGANIC COMPOUNDS TO DIRECTLY MODULATE PCSK9 PROTEIN ACTIVITY PORTOLA PHARMACEUTICALS, INC. (US) 2017-03-02 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 (5 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-11944619-B2 Phenylalanine small organic compounds to directly modulate PCSK9 protein activity PCSK9, LDLR, APOL1 AAK1 2182/4885CTSS 1321/4885CTSK 1103/4885
US-10821106-B2 Composition and methods of use of novel phenylalanine small organic compounds to directly modulate PCSK9 protein activity PCSK9, LDLR, APOB AAK1 2211/4885CTSS 1028/4885CTSK 936/4885
US-20210236481-A1 COMPOSITION AND METHODS OF USE OF NOVEL PHENYLALANINE SMALL ORGANIC COMPOUNDS TO DIRECTLY MODULATE PCSK9 PROTEIN ACTIVITY PCSK9, LDLR, APOB AAK1 2211/4885CTSS 1028/4885CTSK 936/4885
US-20180237381-A1 COMPOSITION AND METHODS OF USE OF NOVEL PHENYLALANINE SMALL ORGANIC COMPOUNDS TO DIRECTLY MODULATE PCSK9 PROTEIN ACTIVITY PCSK9, LDLR, APOB AAK1 2211/4885CTSS 1028/4885CTSK 936/4885
US-20240415830-A1 COMPOSITION AND METHODS OF USE OF NOVEL PHENYLALANINE SMALL ORGANIC COMPOUNDS TO DIRECTLY MODULATE PCSK9 PROTEIN ACTIVITY PCSK9, LDLR, APOB AAK1 2211/4885CTSS 1028/4885CTSK 936/4885

“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.