SCHEMBL19228060

SCHEMBL19228060

CCOCOC(=O)c1cccc2c1OB(O)[C@@H](NC(=O)CCC(N)=O)C2

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 3/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ NAMPT P43490 1/20 0.30

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
SCHEMBL17337250 0.93 TSHR (0.36) PARP1KDM4EHSD17B10
SCHEMBL17337253 0.93 TSHR (0.36) PARP1KDM4EHSD17B10
SCHEMBL17337353 0.88 PRKCB (0.33) PARP1
SCHEMBL17337350 0.88 PRKCB (0.33) PARP1
SCHEMBL23130019 0.88 PARP1 (0.36) PARP1HSD17B10
SCHEMBL17347850 0.88 PARP1 (0.36) PARP1HSD17B10
SCHEMBL17337284 0.87 TSHR (0.40) PARP1KDM4EHSD17B10
SCHEMBL17337280 0.87 TSHR (0.40) PARP1KDM4EHSD17B10
SCHEMBL19228054 0.86 KDM4E (0.31) KDM4EHSD17B10
SCHEMBL23837473 0.85 PARP1 (0.33) PARP1

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-20170226135-A1 BETA-LACTAMASE INHIBITORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-08-10 — — 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-20170226135-A1 BETA-LACTAMASE INHIBITORS MGAM, GAA, LCT PARP1 589/4885KDM4E 720/4885HSD17B10 913/4885

“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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