SCHEMBL20474609

SCHEMBL20474609

CC(C)NC(=O)C(N)Cc1ccc(-c2cccs2)cc1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 7/20 0.52
HDAC2 Q92769 4/20 0.52
HDAC3 O15379 3/20 0.52
HPGDS O60760 1/20 0.50
LTA4H P09960 1/20 0.48
HDAC6 Q9UBN7 2/20 0.47
CTSC P53634 4/20 0.46
PPARG P37231 2/20 0.45
PPARA Q07869 2/20 0.45
SRC P12931 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL18554074 1.00 HDAC1 (0.52) HDAC1HDAC2HDAC3HPGDSLTA4H
SCHEMBL5783465 0.82 HDAC1 (0.57) HDAC1HDAC2HDAC3HPGDSLTA4H
SCHEMBL7609597 0.81 PPARG (0.58) HDAC1HPGDSLTA4HHDAC6PPARG
SCHEMBL6170897 0.81 PPARG (0.58) HDAC1HPGDSLTA4HHDAC6PPARG
SCHEMBL12377253 0.81 CTSC (0.59) CTSC
SCHEMBL18554025 0.81 CTSC (0.59) CTSC
Hydrochloric Acid SCHEMBL6165154 0.81 HDAC1 (0.56) HDAC1HDAC2HDAC3HPGDSLTA4H
Hydrochloric Acid SCHEMBL7309860 0.80 PPARG (0.56) HPGDSLTA4HPPARGPPARA
Hydrochloric Acid SCHEMBL7309851 0.80 PPARG (0.56) HPGDSLTA4HPPARGPPARA
SCHEMBL6850645 0.79 LTA4H (0.65) LTA4HPPARGPPARA

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
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 claimed
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 claimed
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

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 HDAC1 2317/4885HDAC2 2794/4885HDAC3 2059/4885
US-10821106-B2 Composition and methods of use of novel phenylalanine small organic compounds to directly modulate PCSK9 protein activity PCSK9, LDLR, APOB HDAC1 2625/4885HDAC2 3260/4885HDAC3 2514/4885
US-20210236481-A1 COMPOSITION AND METHODS OF USE OF NOVEL PHENYLALANINE SMALL ORGANIC COMPOUNDS TO DIRECTLY MODULATE PCSK9 PROTEIN ACTIVITY PCSK9, LDLR, APOB HDAC1 2625/4885HDAC2 3260/4885HDAC3 2514/4885
US-20180237381-A1 COMPOSITION AND METHODS OF USE OF NOVEL PHENYLALANINE SMALL ORGANIC COMPOUNDS TO DIRECTLY MODULATE PCSK9 PROTEIN ACTIVITY PCSK9, LDLR, APOB HDAC1 2625/4885HDAC2 3260/4885HDAC3 2514/4885
US-20240415830-A1 COMPOSITION AND METHODS OF USE OF NOVEL PHENYLALANINE SMALL ORGANIC COMPOUNDS TO DIRECTLY MODULATE PCSK9 PROTEIN ACTIVITY PCSK9, LDLR, APOB HDAC1 2625/4885HDAC2 3260/4885HDAC3 2514/4885

“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.