SCHEMBL23790802

SCHEMBL23790802

CC(CCNC(=O)OC(C)(C)C)CC(NC(=O)OC(C)(C)C)C(=O)NCCOCCON1C(=O)c2ccccc2C1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKT1 P31749 1/20 0.42
▸ GAA P10253 1/20 0.41
▸ CTSS P25774 6/20 0.39
▸ CTSK P43235 4/20 0.39
▸ MALT1 Q9UDY8 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ CTSL P07711 2/20 0.38
▸ CTSB P07858 2/20 0.38
▸ CAPN1 P07384 1/20 0.38
▸ KCNA5 P22460 1/20 0.37
▸ PDCD1 Q15116 1/20 0.37
▸ CD274 Q9NZQ7 1/20 0.37
▸ PSEN1 P49768 1/20 0.37
▸ PSEN2 P49810 1/20 0.37
▸ APH1B Q8WW43 1/20 0.37
▸ NCSTN Q92542 1/20 0.37
▸ APH1A Q96BI3 1/20 0.37
▸ PSENEN Q9NZ42 1/20 0.37
▸ BCHE P06276 1/20 0.37
▸ CNR2 P34972 1/20 0.37

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
SCHEMBL14238197 0.88 CA1 (0.45) AKT1GAACTSSCTSKALDH1A1
SCHEMBL26265633 0.88 CA1 (0.45) AKT1GAACTSSCTSKALDH1A1
SCHEMBL25719625 0.84 GAA (0.58) GAAMALT1ALDH1A1PDCD1CD274
SCHEMBL22536411 0.83 TLR2 (0.45) AKT1GAACTSSCTSKALDH1A1
SCHEMBL23921370 0.79 SIRT5 (0.44) AKT1BCHE
SCHEMBL2451977 0.78 MALT1 (0.52) GAAMALT1ALDH1A1PDCD1CD274
SCHEMBL29727448 0.78 MALT1 (0.52) GAAMALT1ALDH1A1PDCD1CD274
SCHEMBL23921371 0.75 BCHE (0.39) AKT1BCHE
SCHEMBL21792191 0.74 ALDH1A1 (0.47) GAACTSKALDH1A1BCHE
SCHEMBL14969045 0.74 GAA (0.43) AKT1GAACTSSCTSKMALT1

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-20210277056-A1 COMPOSITIONS CONTAINING, METHODS INVOLVING, AND USES OF NON-NATURAL AMINO ACID LINKED DOLASTATIN DERIVATIVES AMBRX, INC. (US) 2021-09-09 — — 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-20210277056-A1 COMPOSITIONS CONTAINING, METHODS INVOLVING, AND USES OF NON-NATURAL AMINO ACID LINKED DOLASTATIN DERIVATIVES DDOST, DAD1, PTMS AKT1 864/4885GAA 2037/4885CTSS 2963/4885

“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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