SCHEMBL15868268

SCHEMBL15868268

O=C(Cc1cccs1)N[C@H]1Cc2cccc(C(=O)O)c2OB1O

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 1/20 0.40
▸ HPGD P15428 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ KMT2A Q03164 3/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ POLB P06746 5/20 0.39
▸ PKM P14618 2/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ TP53 P04637 2/20 0.37
▸ NPC1 O15118 2/20 0.37
▸ MAPK8 P45983 1/20 0.37
▸ BLM P54132 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ CASP6 P55212 1/20 0.37

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
SCHEMBL17349747 0.89 MEN1 (0.44) HPGDALDH1A1KMT2ARAB9APOLB
SCHEMBL17349751 0.86 NPC1 (0.48) HPGDALDH1A1KMT2ARAB9APOLB
SCHEMBL22474794 0.84 PARP1 (0.33) ALDH1A1KDM4E
SCHEMBL17286480 0.84 PARP1 (0.33) ALDH1A1KDM4E
SCHEMBL17349761 0.84 NPC1 (0.38) HPGDALDH1A1KMT2ARAB9APOLB
SCHEMBL14751665 0.83 SIGMAR1 (0.39) SIGMAR1HPGDALDH1A1KMT2ARAB9A
SCHEMBL22210800 0.83 MME (0.33) KDM4E
Ledaborbactam SCHEMBL17337620 0.83 MTNR1A (0.40) KMT2AMEN1
SCHEMBL18797960 0.83 PARP1 (0.35) KDM4E
Ledaborbactam SCHEMBL17337200 0.83 MTNR1A (0.40) KMT2AMEN1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3145936-B1 BORONIC ACID DERIVATIVES AND THERAPEUTIC USES THEREOF QPEX BIOPHARMA INC (US) 2020-09-30 — — EP disclosed
US-9963467-B2 Boronic acid derivatives and therapeutic uses thereof REMPEX PHARMACEUTICALS, INC. (US) 2018-05-08 — — US disclosed
US-9642869-B2 Boronic acid derivatives and therapeutic uses thereof REMPEX PHARMACEUTICALS, INC. (US) 2017-05-09 — — US disclosed
US-20170088561-A1 BORONIC ACID DERIVATIVES AND THERAPEUTIC USES THEREOF QPEX BIOPHARMA, INC. 2017-03-30 — — US disclosed
WO-2015179308-A1 BORONIC ACID DERIVATIVES AND THERAPEUTIC USES THEREOF REMPEX PHARMACEUTICALS, INC. (US) 2015-11-26 — — WO 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20170088561-A1 BORONIC ACID DERIVATIVES AND THERAPEUTIC USES THEREOF BCL6B, BTD, BCL6 SIGMAR1 2622/4885HPGD 1511/4885ALDH1A1 1999/4885
US-20140194385-A1 BORONIC ACID DERIVATIVES AND THERAPEUTIC USES THEREOF BPGM, GCG, GBA1 SIGMAR1 2587/4885HPGD 2752/4885ALDH1A1 1448/4885
US-20140194382-A1 BORONIC ACID DERIVATIVES AND THERAPEUTIC USES THEREOF BCL6B, BTD, BCL6 SIGMAR1 2622/4885HPGD 1511/4885ALDH1A1 1999/4885

“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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