SCHEMBL15868185

SCHEMBL15868185

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

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 3/20 0.36
▸ PKM P14618 2/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ IDO1 P14902 1/20 0.31
▸ LMNA P02545 2/20 0.31
▸ TSHR P16473 1/20 0.31
▸ CAT P04040 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ CASP3 P42574 1/20 0.30
▸ SENP8 Q96LD8 1/20 0.30
▸ SENP7 Q9BQF6 1/20 0.30
▸ SENP6 Q9GZR1 1/20 0.30
▸ SIRT5 Q9NXA8 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
SCHEMBL17337357 0.88 PARP1 (0.37) PARP1NPSR1LMNACATMAPT
SCHEMBL17337290 0.88 PARP1 (0.37) PARP1NPSR1LMNACATMAPT
SCHEMBL18827396 0.87 PARP1 (0.36) PARP1LMNACATMAPTCASP3
SCHEMBL18683713 0.87 PARP1 (0.36) PARP1LMNACATMAPTCASP3
SCHEMBL23129914 0.86 PARP1 (0.36) PARP1LMNACATMAPT
SCHEMBL17347389 0.86 PARP1 (0.36) PARP1LMNACATMAPT
SCHEMBL15861578 0.86 ALDH1A1 (0.34) PARP1
SCHEMBL15861579 0.86 ALDH1A1 (0.34) PARP1
SCHEMBL15861664 0.85 PARP1 (0.36) PARP1LMNACATMAPT
SCHEMBL15861663 0.85 PARP1 (0.36) PARP1LMNACATMAPT

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 5 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-9101638-B2 Boronic acid derivatives and therapeutic uses thereof REMPEX PHARMACEUTICALS, INC. (US) 2015-08-11 — — US disclosed
US-20140194385-A1 BORONIC ACID DERIVATIVES AND THERAPEUTIC USES THEREOF QPEX BIOPHARMA, INC. 2014-07-10 — — US disclosed
US-20140194382-A1 BORONIC ACID DERIVATIVES AND THERAPEUTIC USES THEREOF THE MEDICINES COMPANY (SAN DIEGO), LLC 2014-07-10 — — US disclosed
WO-2014107535-A1 BORONIC ACID DERIVATIVES AND THERAPEUTIC USES THEREOF REMPEX PHARMACEUTICALS, INC. (US) 2014-07-10 — — 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 (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 1847/4885PKM 2656/4885NPSR1 3626/4885
US-20140194382-A1 BORONIC ACID DERIVATIVES AND THERAPEUTIC USES THEREOF BCL6B, BTD, BCL6 PARP1 1238/4885PKM 3196/4885NPSR1 3681/4885

“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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