SCHEMBL25501985

SCHEMBL25501985

COC(=O)CCC(=O)N(CCN=[N+]=[N-])Cc1ccc(CCNC(=O)OC(C)(C)C)cc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 5/20 0.41
▸ CA1 P00915 3/20 0.41
▸ NAMPT P43490 1/20 0.38
▸ SIGMAR1 Q99720 2/20 0.35
▸ MAPT P10636 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ PTGER4 P35408 1/20 0.35
▸ GLA P06280 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ AKT1 P31749 1/20 0.35
▸ CTSL P07711 1/20 0.34
▸ CTSB P07858 1/20 0.34
▸ CTSS P25774 1/20 0.34
▸ FOLH1 Q04609 3/20 0.34
▸ CA9 Q16790 1/20 0.34

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
SCHEMBL25495976 0.82 FOLH1 (0.38) CA2CA1FOLH1
SCHEMBL23080720 0.81 CA2 (0.43) CA2CA1NAMPTSIGMAR1PTGER4
SCHEMBL26088797 0.76 CA2 (0.49) CA2CA1NAMPTSIGMAR1MAPT
SCHEMBL28848653 0.75 CA2 (0.56) CA2CA1NAMPTSIGMAR1MAPT
SCHEMBL23538085 0.75 CA2 (0.40) CA2CA1NAMPTSIGMAR1PTGER4
SCHEMBL25495978 0.74 CA2 (0.46) CA2CA1NAMPTMAPTTDP1
SCHEMBL13527791 0.73 HDAC1 (0.43) NAMPTAKT1CTSLCTSBCTSS
SCHEMBL13527841 0.72 ADRB2 (0.42) NAMPTAKT1FOLH1
SCHEMBL19876836 0.71 CA2 (0.49) CA2CA1NAMPTMAPTTDP1
SCHEMBL8251339 0.71 HDAC3 (0.52) MAPTTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230159592-A1 PCSK9 ANTAGONIST COMPOUNDS MERCK SHARP & DOHME LLC 2023-05-25 — — 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 (1 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-20230159592-A1 PCSK9 ANTAGONIST COMPOUNDS PCSK9, PCSK7, PCSK6 CA2 4141/4885CA1 4496/4885NAMPT 2275/4885

“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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