SCHEMBL23080720

SCHEMBL23080720

C=CCCCN(Cc1ccc(CCNC(=O)OC(C)(C)C)cc1)C(=O)CCC(=O)OC

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 5/20 0.43
▸ CA1 P00915 4/20 0.43
▸ USP2 O75604 1/20 0.39
▸ NAMPT P43490 1/20 0.38
▸ SIGMAR1 Q99720 2/20 0.37
▸ TLR7 Q9NYK1 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ PTGER4 P35408 1/20 0.35
▸ GLA P06280 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ HDAC3 O15379 1/20 0.35
▸ HDAC1 Q13547 1/20 0.35
▸ HDAC2 Q92769 1/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.35
▸ NCOR2 Q9Y618 1/20 0.35

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
SCHEMBL23538085 0.93 CA2 (0.40) CA2CA1USP2NAMPTSIGMAR1
SCHEMBL23080794 0.82 HDAC3 (0.42) TLR7ALDH1A1LMNAHDAC3HDAC1
SCHEMBL25495648 0.82 USP2 (0.33) USP2TLR7
SCHEMBL25501985 0.81 CA2 (0.41) CA2CA1NAMPTSIGMAR1PTGER4
Hydrochloric Acid SCHEMBL23270114 0.81 HDAC3 (0.41) TLR7ALDH1A1LMNAHDAC3HDAC1
SCHEMBL25448478 0.78 USP2 (0.36) USP2NAMPTTLR7ALDH1A1LMNA
SCHEMBL25499825 0.78 TLR7 (0.33) TLR7ALDH1A1LMNAHDAC3HDAC1
SCHEMBL13613012 0.76 CA1 (0.53) CA2CA1NAMPTALDH1A1GLA
SCHEMBL28848653 0.75 CA2 (0.56) CA2CA1NAMPTSIGMAR1LMNA
SCHEMBL8251339 0.75 HDAC3 (0.52) HDAC3HDAC1HDAC2HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230165932-A1 PCSK9 ANTAGONIST COMPOUNDS MERCK SHARP & DOHME LLC 2023-06-01 — — US disclosed
US-20230159592-A1 PCSK9 ANTAGONIST COMPOUNDS MERCK SHARP & DOHME LLC 2023-05-25 — — US disclosed
US-20230144324-A1 PCSK9 ANTAGONIST COMPOUNDS MERCK SHARP & DOHME LLC 2023-05-11 — — US disclosed
WO-2021127460-A1 PCSK9 ANTAGONIST COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2021-06-24 — — WO disclosed
US-20210069288-A1 PCSK9 ANTAGONIST COMPOUNDS MERCK SHARP & DOHME LLC 2021-03-11 — — 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 (4 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-20210069288-A1 PCSK9 ANTAGONIST COMPOUNDS PCSK9, PCSK7, PCSK6 CA2 3380/4885CA1 4281/4885USP2 3770/4885
US-20230165932-A1 PCSK9 ANTAGONIST COMPOUNDS PCSK9, PCSK7, PCSK6 CA2 3380/4885CA1 4281/4885USP2 3770/4885
US-20230159592-A1 PCSK9 ANTAGONIST COMPOUNDS PCSK9, PCSK7, PCSK6 CA2 4141/4885CA1 4496/4885USP2 3955/4885
US-20230144324-A1 PCSK9 ANTAGONIST COMPOUNDS PCSK9, PCSK7, PCSK6 CA2 2725/4885CA1 3492/4885USP2 3822/4885

“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.

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