SCHEMBL24618744

SCHEMBL24618744

CC(C)(C)OC(=O)NOCCNC(=O)[C@H](CCCNC(=O)COC(C)(C)CCOC(C)(C)CCN=[N+]=[N-])NC(=O)COC(C)(C)CCOC(C)(C)CCN=[N+]=[N-]

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 6/20 0.34
▸ CA1 P00915 5/20 0.34
▸ CAPN1 P07384 1/20 0.33
▸ CTSS P25774 1/20 0.32
▸ CTSK P43235 1/20 0.32
▸ CTSL P07711 1/20 0.32
▸ CTSB P07858 1/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ GLP1R P43220 5/20 0.31
▸ F10 P00742 1/20 0.30

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
SCHEMBL22454909 0.97 CTSS (0.34) CA2CA1CAPN1CTSSCTSK
SCHEMBL18911532 0.90 GLP1R (0.39) CA2CA1GLP1R
SCHEMBL18912601 0.82 GLP1R (0.41) CA2CA1CAPN1CTSSCTSK
SCHEMBL18911933 0.80 GLP1R (0.45) CA2CA1CAPN1CTSSCTSK
SCHEMBL18911535 0.75 GLP1R (0.42) CA2CA1CAPN1CTSSCTSK
SCHEMBL22454935 0.71 — —
SCHEMBL18906906 0.70 GLP1R (0.49) CA2CA1CAPN1CTSSCTSK
SCHEMBL18906902 0.70 GLP1R (0.49) CA2CA1CAPN1CTSSCTSK
SCHEMBL23475976 0.70 CTSK (0.44) CA2CA1CAPN1CTSSCTSK
SCHEMBL16853378 0.70 CTSK (0.44) CA2CA1CAPN1CTSSCTSK

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-20220218840-A1 ANTIBODY-DRUG CONJUGATES COMPRISING BRANCHED LINKERS AND METHODS RELATED THERETO LIGACHEM BIOSCIENCES INC. (KR) 2022-07-14 — — 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-20220218840-A1 ANTIBODY-DRUG CONJUGATES COMPRISING BRANCHED LINKERS AND METHODS RELATED THERETO PA2G4, FCGRT, CLTB CA2 2471/4885CA1 569/4885CAPN1 3969/4885

“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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