SCHEMBL23880545

SCHEMBL23880545

CC(C)[C@H](NC(=O)CCOCCOCCOCCOCCOCCOCCNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](CCCNC(N)=O)C(=O)Nc1ccc(CO)cc1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TLR2 O60603 3/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ MAP1LC3B Q9GZQ8 2/20 0.38
▸ PTPN1 P18031 3/20 0.37
▸ CASP3 P42574 2/20 0.36
▸ FAP Q12884 1/20 0.36
▸ FURIN P09958 2/20 0.36
▸ TPSAB1 Q15661 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
SCHEMBL31035902 1.00 TLR2 (0.39) TLR2KMT2AMAP1LC3BPTPN1CASP3
SCHEMBL30509100 1.00 TLR2 (0.39) TLR2KMT2AMAP1LC3BPTPN1CASP3
SCHEMBL84146 0.99 TLR2 (0.39) TLR2KMT2AMAP1LC3BPTPN1CASP3
SCHEMBL29077872 0.94 PTPN1 (0.44) TLR2KMT2AMAP1LC3BPTPN1CASP3
SCHEMBL29077869 0.94 PTPN1 (0.44) TLR2KMT2AMAP1LC3BPTPN1CASP3
SCHEMBL29077921 0.94 PTPN1 (0.44) TLR2KMT2AMAP1LC3BPTPN1CASP3
SCHEMBL29077866 0.94 PTPN1 (0.44) TLR2KMT2AMAP1LC3BPTPN1CASP3
SCHEMBL29077936 0.94 PTPN1 (0.44) TLR2KMT2AMAP1LC3BPTPN1CASP3
SCHEMBL29609021 0.94 PTPN1 (0.39) TLR2KMT2AMAP1LC3BPTPN1FURIN
SCHEMBL29608650 0.94 PTPN1 (0.39) TLR2KMT2AMAP1LC3BPTPN1FURIN

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 2 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

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 TLR2 3264/4885KMT2A 522/4885MAP1LC3B 3568/4885
US-20210308276-A1 HETEROARYL SULFONE-BASED CONJUGATION HANDLES, METHODS FOR THEIR PREPARATION, AND THEIR USE IN SYNTHESIZING ANTIBODY DRUG CONJUGATES SULT1E1, FCGRT, SULT2A1 TLR2 3271/4885KMT2A 1086/4885MAP1LC3B 2627/4885

“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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