SCHEMBL23880504

SCHEMBL23880504

CC(=O)N[C@@H](CCCNC(=O)OC(C)(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(N)=O)C(=O)Nc1ccc(CO)cc1)C(C)C

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA2 P00918 6/20 0.51
CA1 P00915 5/20 0.51
FURIN P09958 8/20 0.44
MMP1 P03956 1/20 0.42
MMP3 P08254 1/20 0.42
MMP9 P14780 1/20 0.42
SIRT5 Q9NXA8 1/20 0.39
KDM4E B2RXH2 1/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
PAX8 Q06710 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
BACE1 P56817 3/20 0.38

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
SCHEMBL16946400 0.98 CA2 (0.53) CA2CA1FURINMMP1MMP3
SCHEMBL20158426 0.92 CA2 (0.46) CA2CA1FURINMMP1MMP3
SCHEMBL17902993 0.92 CA2 (0.46) CA2CA1FURINMMP1MMP3
SCHEMBL14012279 0.92 CA2 (0.46) CA2CA1FURINMMP1MMP3
SCHEMBL12283259 0.92 CA2 (0.46) CA2CA1FURINMMP1MMP3
SCHEMBL13436625 0.92 CA2 (0.46) CA2CA1FURINMMP1MMP3
SCHEMBL17541357 0.89 CA2 (0.47) CA2CA1FURINMMP1MMP3
SCHEMBL17541356 0.89 CA2 (0.47) CA2CA1FURINMMP1MMP3
SCHEMBL23900676 0.89 SIRT5 (0.43) CA2CA1FURINSIRT5BACE1
SCHEMBL20173512 0.89 CA1 (0.45) CA2CA1FURINMMP1MMP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11712480-B2 Heteroaryl sulfone-based conjugation handles, methods for their preparation, and their use in synthesizing antibody drug conjugates PFIZER INC. (US) 2023-08-01 US disclosed
US-20210308276-A1 HETEROARYL SULFONE-BASED CONJUGATION HANDLES, METHODS FOR THEIR PREPARATION, AND THEIR USE IN SYNTHESIZING ANTIBODY DRUG CONJUGATES PFIZER INC. (US) 2021-10-07 US disclosed
US-20210308276-A1 HETEROARYL SULFONE-BASED CONJUGATION HANDLES, METHODS FOR THEIR PREPARATION, AND THEIR USE IN SYNTHESIZING ANTIBODY DRUG CONJUGATES PFIZER INC. (US) 2021-10-07 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 (2 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-11712480-B2 Heteroaryl sulfone-based conjugation handles, methods for their preparation, and their use in synthesizing antibody drug conjugates SULT1E1, SULT2A1, STS CA2 4775/4885CA1 4476/4885FURIN 557/4885
US-20210308276-A1 HETEROARYL SULFONE-BASED CONJUGATION HANDLES, METHODS FOR THEIR PREPARATION, AND THEIR USE IN SYNTHESIZING ANTIBODY DRUG CONJUGATES SULT1E1, FCGRT, SULT2A1 CA2 4843/4885CA1 4715/4885FURIN 1114/4885

“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.