SCHEMBL12944898

SCHEMBL12944898

C/C(=N/O)C(=O)N[C@H]1Cc2cccc(C(=O)O)c2OB1O

nearest known ligand 0.63

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 3/20 0.34
▸ MTNR1A P48039 1/20 0.30
▸ MTNR1B P49286 1/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ RAB9A P51151 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
SCHEMBL23129914 0.88 PARP1 (0.36) PARP1MTNR1AMTNR1BLMNA
SCHEMBL17347389 0.88 PARP1 (0.36) PARP1MTNR1AMTNR1BLMNA
SCHEMBL17337357 0.87 PARP1 (0.37) PARP1MTNR1AMTNR1BLMNA
SCHEMBL17337290 0.87 PARP1 (0.37) PARP1MTNR1AMTNR1BLMNA
SCHEMBL12944900 0.86 PARP1 (0.34) PARP1MTNR1AMTNR1B
SCHEMBL15861664 0.85 PARP1 (0.36) PARP1MTNR1AMTNR1BLMNA
SCHEMBL15861663 0.85 PARP1 (0.36) PARP1MTNR1AMTNR1BLMNA
SCHEMBL20570354 0.84 NPC1 (0.35) PARP1MTNR1AMTNR1BNPC1RAB9A
SCHEMBL20570349 0.84 NPC1 (0.35) PARP1MTNR1AMTNR1BNPC1RAB9A
SCHEMBL18827396 0.84 PARP1 (0.36) PARP1NPC1LMNARAB9A

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-9642869-B2 Boronic acid derivatives and therapeutic uses thereof REMPEX PHARMACEUTICALS, INC. (US) 2017-05-09 — — US disclosed
US-20140194385-A1 BORONIC ACID DERIVATIVES AND THERAPEUTIC USES THEREOF QPEX BIOPHARMA, INC. 2014-07-10 — — US disclosed
WO-2010130708-A9 BETA-LACTAMASE INHIBITORS NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2011-01-13 — — WO disclosed
WO-2010130708-A1 BETA-LACTAMASE INHIBITORS NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2010-11-18 — — WO 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-20140194385-A1 BORONIC ACID DERIVATIVES AND THERAPEUTIC USES THEREOF BPGM, GCG, GBA1 PARP1 1847/4885MTNR1A 938/4885MTNR1B 509/4885

“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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