SCHEMBL10158857

SCHEMBL10158857

CC(=O)CC1CC[C@H](NC(=O)Cc2cccs2)B(O)O1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.45
▸ POLB P06746 7/20 0.44
▸ ALDH1A1 P00352 5/20 0.44
▸ HSD17B10 Q99714 3/20 0.44
▸ TSHR P16473 2/20 0.44
▸ KMT2A Q03164 6/20 0.43
▸ MEN1 O00255 5/20 0.43
▸ PKM P14618 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ HPGD P15428 2/20 0.42
▸ XBP1 P17861 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ NPC1 O15118 2/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ BLM P54132 1/20 0.42
▸ SIGMAR1 Q99720 1/20 0.42
▸ CASP6 P55212 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ GLA P06280 1/20 0.41

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
SCHEMBL10158855 1.00 CYP3A4 (0.45) CYP3A4POLBALDH1A1HSD17B10TSHR
SCHEMBL10158925 0.93 POLB (0.47) CYP3A4POLBALDH1A1HSD17B10TSHR
SCHEMBL10158979 0.93 POLB (0.47) CYP3A4POLBALDH1A1HSD17B10TSHR
Vaborbactam SCHEMBL622398 0.90 SIGMAR1 (0.45) CYP3A4POLBALDH1A1HSD17B10TSHR
Vaborbactam SCHEMBL22726486 0.90 SIGMAR1 (0.45) CYP3A4POLBALDH1A1HSD17B10TSHR
Vaborbactam SCHEMBL18967758 0.90 SIGMAR1 (0.45) CYP3A4POLBALDH1A1HSD17B10TSHR
Vaborbactam SCHEMBL620289 0.90 SIGMAR1 (0.45) CYP3A4POLBALDH1A1HSD17B10TSHR
SCHEMBL18251781 0.90 POLB (0.46) CYP3A4POLBALDH1A1HSD17B10TSHR
SCHEMBL21700140 0.90 POLB (0.46) CYP3A4POLBALDH1A1HSD17B10TSHR
SCHEMBL10189589 0.87 POLB (0.45) CYP3A4POLBALDH1A1HSD17B10TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230277571-A1 THERAPEUTIC USES OF PHARMACEUTICAL COMPOSITIONS COMPRISING CYCLIC BORONIC ACID ESTER DERIVATIVES MELINTA SUBSIDIARY CORP. 2023-09-07 — — US disclosed
US-11684629-B2 Therapeutic uses of pharmaceutical compositions comprising cyclic boronic acid ester derivatives MELINTA SUBSIDIARY CORP. (US) 2023-06-27 — — US disclosed
US-20180214465-A1 THERAPEUTIC USES OF PHARMACEUTICAL COMPOSITIONS COMPRISING CYCLIC BORONIC ACID ESTER DERIVATIVES MELINTA SUBSIDIARY CORP. 2018-08-02 — — US disclosed
US-20180207183-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING CYCLIC BORONIC ACID ESTER DERIVATIVES MELINTA SUBSIDIARY CORP. 2018-07-26 — — US disclosed
US-10004758-B2 Cyclic boronic acid ester derivatives and methods of making the same REMPEX PHARMACEUTICALS, INC. (US) 2018-06-26 — — US disclosed
US-20180071325-A1 CYCLIC BORONIC ACID ESTER DERIVATIVES AND METHODS OF MAKING THE SAME MELINTA SUBSIDIARY CORP. 2018-03-15 — — US disclosed
US-9694025-B2 Cyclic boronic acid ester derivatives and therapeutic uses thereof REMPEX PHARMACEUTICALS, INC. (US) 2017-07-04 — — US disclosed
US-20160220591-A1 CYCLIC BORONIC ACID ESTER DERIVATIVES AND THERAPEUTIC USES THEREOF MELINTA SUBSIDIARY CORP. 2016-08-04 — — US disclosed
US-9296763-B2 Cyclic boronic acid ester derivatives and therapeutic uses thereof REMPEX PHARMACEUTICALS, INC. (US) 2016-03-29 — — US disclosed
US-8680136-B2 Cyclic boronic acid ester derivatives and therapeutic uses thereof REMPEX PHARMACEUTICALS, INC. (US) 2014-03-25 — — US disclosed
US-20120040932-A1 CYCLIC BORONIC ACID ESTER DERIVATIVES AND THERAPEUTIC USES THEREOF REMPEX PHARMACEUTICALS, INC. (US) 2012-02-16 — — 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 (8 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-20180207183-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING CYCLIC BORONIC ACID ESTER DERIVATIVES BCL6B, SLC10A2, ABCB11 CYP3A4 687/4885POLB 1208/4885ALDH1A1 3286/4885
US-20180214465-A1 THERAPEUTIC USES OF PHARMACEUTICAL COMPOSITIONS COMPRISING CYCLIC BORONIC ACID ESTER DERIVATIVES BCL6B, BCL6, SLC10A2 CYP3A4 1934/4885POLB 1037/4885ALDH1A1 3278/4885
US-20160220591-A1 CYCLIC BORONIC ACID ESTER DERIVATIVES AND THERAPEUTIC USES THEREOF BCL6B, BCL6, BCL9 CYP3A4 2420/4885POLB 1247/4885ALDH1A1 2889/4885
US-20180071325-A1 CYCLIC BORONIC ACID ESTER DERIVATIVES AND METHODS OF MAKING THE SAME BCL6B, BCL6, BCR CYP3A4 892/4885POLB 841/4885ALDH1A1 2978/4885
US-20120040932-A1 CYCLIC BORONIC ACID ESTER DERIVATIVES AND THERAPEUTIC USES THEREOF BCL6B, BCL6, BCL9 CYP3A4 2455/4885POLB 1052/4885ALDH1A1 2354/4885
US-11684629-B2 Therapeutic uses of pharmaceutical compositions comprising cyclic boronic acid ester derivatives BCL6B, BCL6, SLC10A2 CYP3A4 1934/4885POLB 1037/4885ALDH1A1 3278/4885
US-10004758-B2 Cyclic boronic acid ester derivatives and methods of making the same BCL6B, BCL6, BCR CYP3A4 892/4885POLB 841/4885ALDH1A1 2978/4885
US-20230277571-A1 THERAPEUTIC USES OF PHARMACEUTICAL COMPOSITIONS COMPRISING CYCLIC BORONIC ACID ESTER DERIVATIVES BCL6B, BCL6, SLC10A2 CYP3A4 1934/4885POLB 1037/4885ALDH1A1 3278/4885

“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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