SCHEMBL14751665

SCHEMBL14751665

O=C(Cc1cccs1)N[C@H]1COc2cccc(C(=O)O)c2OB1O

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 1/20 0.39
▸ HPGD P15428 4/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ POLB P06746 4/20 0.37
▸ PKM P14618 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ MAPK8 P45983 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35

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
SCHEMBL15893479 0.87 POLB (0.48) HPGDALDH1A1KMT2ARAB9APOLB
SCHEMBL15868268 0.83 SIGMAR1 (0.40) SIGMAR1HPGDALDH1A1KMT2ARAB9A
SCHEMBL14751534 0.76 SIGMAR1 (0.41) SIGMAR1HPGDALDH1A1KMT2ARAB9A
SCHEMBL18089666 0.73 SMN1; SMN2 (0.40) SIGMAR1HPGDALDH1A1KMT2ARAB9A
SCHEMBL15893484 0.73 PSEN1 (0.38) SIGMAR1HPGDALDH1A1KMT2ARAB9A
SCHEMBL17349747 0.73 MEN1 (0.44) HPGDALDH1A1KMT2ARAB9APOLB
SCHEMBL17286470 0.71 SIGMAR1 (0.42) SIGMAR1HPGDALDH1A1KMT2ARAB9A
SCHEMBL18662417 0.71 SIGMAR1 (0.42) SIGMAR1HPGDALDH1A1KMT2ARAB9A
SCHEMBL17349751 0.71 NPC1 (0.48) HPGDALDH1A1KMT2ARAB9APOLB
SCHEMBL14751697 0.70 HPGD (0.41) SIGMAR1HPGDALDH1A1KMT2ARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150119363-A1 METHODS OF TREATING BACTERIAL INFECTIONS Rempex Pharmaceuticals, Inc.. (US) 2015-04-30 — — US disclosed
US-20150119363-A1 METHODS OF TREATING BACTERIAL INFECTIONS Rempex Pharmaceuticals, Inc.. (US) 2015-04-30 — — US disclosed
US-9012491-B2 Heterocyclic boronic acid ester derivatives and therapeutic uses thereof REMPEX PHARMACEUTICALS, INC. (US) 2015-04-21 — — US disclosed
US-9012491-B2 Heterocyclic boronic acid ester derivatives and therapeutic uses thereof REMPEX PHARMACEUTICALS, INC. (US) 2015-04-21 — — US disclosed
US-20140206648-A1 HETEROCYCLIC BORONIC ACID ESTER DERIVATIVES AND THERAPEUTIC USES THEREOF REMPEX PHARMACEUTICALS, INC. (US) 2014-07-24 — — US disclosed
US-20140206648-A1 HETEROCYCLIC BORONIC ACID ESTER DERIVATIVES AND THERAPEUTIC USES THEREOF REMPEX PHARMACEUTICALS, INC. (US) 2014-07-24 — — US disclosed
WO-2013122888-A2 METHODS OF TREATING BACTERIAL INFECTIONS REMPEX PHARMACEUTICALS, INC. (US) 2013-08-22 — — WO disclosed
WO-2013033461-A1 HETEROCYCLIC BORONIC ACID ESTER DERIVATIVES AND THERAPEUTIC USES THEREOF REMPEX PHARMACEUTICALS, INC. (US) 2013-03-07 — — 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-20140206648-A1 HETEROCYCLIC BORONIC ACID ESTER DERIVATIVES AND THERAPEUTIC USES THEREOF BCL6B, BCL6, BTD SIGMAR1 2173/4885HPGD 1174/4885ALDH1A1 2081/4885
US-20150119363-A1 METHODS OF TREATING BACTERIAL INFECTIONS MMP8, ELANE, LCT SIGMAR1 3883/4885HPGD 615/4885ALDH1A1 929/4885

“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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