SCHEMBL15861663

SCHEMBL15861663

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

nearest known ligand 0.67

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 3/20 0.36
▸ STS P08842 1/20 0.31
▸ CAT P04040 1/20 0.30
▸ MTNR1A P48039 1/20 0.30
▸ MTNR1B P49286 1/20 0.30
▸ ABCC1 P33527 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ MAPT P10636 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
SCHEMBL15861664 1.00 PARP1 (0.36) PARP1STSCATMTNR1AMTNR1B
SCHEMBL17337290 0.90 PARP1 (0.37) PARP1CATMTNR1AMTNR1BLMNA
SCHEMBL17337357 0.90 PARP1 (0.37) PARP1CATMTNR1AMTNR1BLMNA
SCHEMBL23129914 0.89 PARP1 (0.36) PARP1CATMTNR1AMTNR1BLMNA
SCHEMBL17347389 0.89 PARP1 (0.36) PARP1CATMTNR1AMTNR1BLMNA
SCHEMBL18827396 0.87 PARP1 (0.36) PARP1CATLMNAMAPT
SCHEMBL18683713 0.87 PARP1 (0.36) PARP1CATLMNAMAPT
SCHEMBL15868185 0.85 PARP1 (0.36) PARP1CATLMNAMAPT
SCHEMBL15861585 0.85 PARP1 (0.40) PARP1CAT
SCHEMBL15861587 0.85 PARP1 (0.40) PARP1CAT

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 6 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
EP-2941246-A1 BORONIC ACID DERIVATIVES AND THERAPEUTIC USES THEREOF Rempex Pharmaceuticals, Inc. (US) 2015-11-11 — — EP disclosed
US-9101638-B2 Boronic acid derivatives and therapeutic uses thereof REMPEX PHARMACEUTICALS, INC. (US) 2015-08-11 — — US disclosed
WO-2014107535-A1 BORONIC ACID DERIVATIVES AND THERAPEUTIC USES THEREOF REMPEX PHARMACEUTICALS, INC. (US) 2014-07-10 — — WO disclosed
US-20140194382-A1 BORONIC ACID DERIVATIVES AND THERAPEUTIC USES THEREOF THE MEDICINES COMPANY (SAN DIEGO), LLC 2014-07-10 — — US disclosed
US-20140194385-A1 BORONIC ACID DERIVATIVES AND THERAPEUTIC USES THEREOF QPEX BIOPHARMA, INC. 2014-07-10 — — 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 (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-20140194385-A1 BORONIC ACID DERIVATIVES AND THERAPEUTIC USES THEREOF BPGM, GCG, GBA1 PARP1 1847/4885STS 2975/4885CAT 1678/4885
US-20140194382-A1 BORONIC ACID DERIVATIVES AND THERAPEUTIC USES THEREOF BCL6B, BTD, BCL6 PARP1 1238/4885STS 2107/4885CAT 128/4885

“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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