SCHEMBL19663625

SCHEMBL19663625

CCOC(=O)c1c(C)ccc2c1OB(O)[C@@H](NC(C)=O)C2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRKCZ Q05513 2/20 0.35
▸ CA12 O43570 1/20 0.34
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ CA7 P43166 1/20 0.34
▸ CA9 Q16790 1/20 0.34
▸ CA14 Q9ULX7 1/20 0.34
▸ MAPT P10636 4/20 0.33
▸ ADORA2B P29275 1/20 0.33
▸ ALDH1A1 P00352 3/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ ALOX15 P16050 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ HSD17B10 Q99714 2/20 0.32
▸ TDP1 Q9NUW8 2/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ CASP1 P29466 1/20 0.32
▸ CASP7 P55210 1/20 0.32

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
SCHEMBL17347776 0.90 CA12 (0.42) PRKCZCA12CA1CA2CA7
SCHEMBL19663664 0.90 ALDH1A1 (0.34) CA12CA1CA2CA7CA9
SCHEMBL23129955 0.90 CA12 (0.42) PRKCZCA12CA1CA2CA7
SCHEMBL17347744 0.89 ALOX5 (0.36) PRKCZCA12CA1CA2CA7
SCHEMBL17347748 0.89 HTT (0.35) PRKCZMAPTALDH1A1MEN1KMT2A
SCHEMBL23130009 0.89 HTT (0.35) PRKCZMAPTALDH1A1MEN1KMT2A
SCHEMBL23129690 0.89 ALOX5 (0.36) PRKCZCA12CA1CA2CA7
SCHEMBL23130026 0.88 CYP1A2 (0.37) PRKCZMAPTALDH1A1KMT2ASMN1; SMN2
SCHEMBL17347817 0.88 CYP1A2 (0.37) PRKCZMAPTALDH1A1KMT2ASMN1; SMN2
SCHEMBL19663626 0.87 HTR7 (0.30) —

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-20170342092-A1 BETA-LACTAMASE INHIBITORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-11-30 — — 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-20170342092-A1 BETA-LACTAMASE INHIBITORS MGAM, GAA, LCT PRKCZ 1750/4885CA12 2857/4885CA1 2554/4885

“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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