SCHEMBL27426316

SCHEMBL27426316

CC(=O)OC1C(OCc2ccccc2)[C@H](OCc2ccccc2)C(COCc2ccccc2)O[C@@H]1Sc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.48
CA1 P00915 3/20 0.48
CA2 P00918 3/20 0.48
CA4 P22748 3/20 0.48
CA5A P35218 3/20 0.48
CA7 P43166 3/20 0.48
CA5B Q9Y2D0 3/20 0.48
NT5E P21589 1/20 0.47
TACR2 P21452 3/20 0.46
PTPN1 P18031 8/20 0.44
CDC25B P30305 6/20 0.44
PTPN2 P17706 3/20 0.43
PTPN11 Q06124 3/20 0.43
PTPN6 P29350 2/20 0.43
BCHE P06276 1/20 0.43
SSTR4 P31391 1/20 0.42

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
SCHEMBL10261481 1.00 CA12 (0.48) CA12CA1CA2CA4CA5A
SCHEMBL26273709 0.93 CA12 (0.48) CA12CA1CA2CA4CA5A
SCHEMBL3248351 0.92 NT5E (0.47) CA12CA1CA2CA4CA5A
SCHEMBL10261679 0.91 PTPN1 (0.47) CA12CA1CA2CA4CA5A
SCHEMBL24086079 0.89 CA12 (0.60) CA12CA1CA2CA4CA5A
SCHEMBL21851786 0.89 CA12 (0.60) CA12CA1CA2CA4CA5A
SCHEMBL4874686 0.89 CA12 (0.60) CA12CA1CA2CA4CA5A
SCHEMBL13857172 0.89 PTPN1 (0.46) NT5ETACR2PTPN1CDC25BPTPN2
SCHEMBL3248483 0.88 NT5E (0.56) NT5ETACR2PTPN1CDC25BPTPN2
SCHEMBL24107840 0.88 NT5E (0.56) NT5ETACR2PTPN1CDC25BPTPN2

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-20240218342-A1 SITE-SPECIFIC GLYCAN REMODELING OF LYSOSOMAL ENZYMES AND APPLICATIONS THEREOF UNIVERSITY OF MARYLAND, COLLEGE PARK 2024-07-04 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-20240218342-A1 SITE-SPECIFIC GLYCAN REMODELING OF LYSOSOMAL ENZYMES AND APPLICATIONS THEREOF GAA, MAN2B1, M6PR CA12 906/4885CA1 2735/4885CA2 2064/4885

“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.