SCHEMBL23150643

SCHEMBL23150643

COc1ccc(C[C@@H](NC(=O)/C=C/C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)/C=C/c2ccccc2)C(=O)O)cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.43
PTPN2 P17706 9/20 0.41
PTPN1 P18031 9/20 0.41
CDC25B P30305 9/20 0.41
PPARG P37231 1/20 0.40
NOS2 P35228 4/20 0.40
PTPN6 P29350 6/20 0.38
MMP1 P03956 1/20 0.38
XDH P47989 1/20 0.38
FPR2 P25090 1/20 0.37
NOS3 P29474 1/20 0.37
NOS1 P29475 1/20 0.37
CNR2 P34972 1/20 0.36

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
SCHEMBL23150644 1.00 CA2 (0.43) CA2PTPN2PTPN1CDC25BPPARG
SCHEMBL23150645 1.00 CA2 (0.43) CA2PTPN2PTPN1CDC25BPPARG
SCHEMBL29836867 0.95 NOS2 (0.45) CA2PTPN2PTPN1CDC25BNOS2
SCHEMBL23150653 0.95 CA2 (0.42) CA2PTPN2PTPN1CDC25BPPARG
SCHEMBL23150657 0.95 CA2 (0.42) CA2PTPN2PTPN1CDC25BPPARG
SCHEMBL23150655 0.95 CA2 (0.42) CA2PTPN2PTPN1CDC25BPPARG
SCHEMBL23150669 0.93 NAMPT (0.41) CA2PTPN2PTPN1CDC25BNOS2
SCHEMBL23150668 0.93 NAMPT (0.41) CA2PTPN2PTPN1CDC25BNOS2
SCHEMBL23150667 0.93 NAMPT (0.41) CA2PTPN2PTPN1CDC25BNOS2
SCHEMBL23150662 0.91 CA2 (0.41) CA2PTPN2PTPN1CDC25BPPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11530204-B2 Biocatalytic synthesis of cryptophycin anticancer agents THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2022-12-20 US disclosed
EP-4038085-A1 BIOCATALYTIC SYNTHESIS OF CRYPTOPHYCIN ANTICANCER AGENTS The Regents of The University of Michigan (US) 2022-08-10 EP disclosed
WO-2021067460-A1 BIOCATALYTIC SYNTHESIS OF CRYPTOPHYCIN ANTICANCER AGENTS THE REGENTS OF THE UNIVERSITY OFMICHIGAN (US) 2021-04-08 WO disclosed
US-20210094942-A1 BIOCATALYTIC SYNTHESIS OF CRYPTOPHYCIN ANTICANCER AGENTS THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2021-04-01 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-20210094942-A1 BIOCATALYTIC SYNTHESIS OF CRYPTOPHYCIN ANTICANCER AGENTS HCCS, ERG28, COASY CA2 394/4885PTPN2 4281/4885PTPN1 4502/4885
US-11530204-B2 Biocatalytic synthesis of cryptophycin anticancer agents HCCS, ERG28, COASY CA2 394/4885PTPN2 4281/4885PTPN1 4502/4885

“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.