SCHEMBL17286487

SCHEMBL17286487

CCOC(=O)OCOC(=O)c1c(OC)ccc2c1OB(O)[C@@H](NC(=O)CSC)C2

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ HSD17B10 Q99714 2/20 0.33
▸ HPGD P15428 1/20 0.33
▸ CTDSP1 Q9GZU7 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ L3MBTL1 Q9Y468 2/20 0.31
▸ MAPT P10636 1/20 0.31
▸ CRHBP P24387 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ CRHR2 Q13324 1/20 0.31
▸ GAA P10253 1/20 0.30
▸ TSHR P16473 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
SCHEMBL22474778 1.00 ALDH1A1 (0.33) ALDH1A1KDM4EHSD17B10HPGDCTDSP1
SCHEMBL17286486 0.90 L3MBTL1 (0.30) L3MBTL1
SCHEMBL22474793 0.90 L3MBTL1 (0.30) L3MBTL1
SCHEMBL18662442 0.89 — —
SCHEMBL18662444 0.89 — —
SCHEMBL22474813 0.89 L3MBTL1 (0.32) L3MBTL1
SCHEMBL17286488 0.89 L3MBTL1 (0.32) L3MBTL1
SCHEMBL18662404 0.85 CA12 (0.33) ALDH1A1KDM4EHSD17B10HPGDL3MBTL1
SCHEMBL17286497 0.85 CA12 (0.33) ALDH1A1KDM4EHSD17B10HPGDL3MBTL1
SCHEMBL23130025 0.83 CYP1A2 (0.38) ALDH1A1L3MBTL1MAPTCRHBPHTT

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
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-9963467-B2 Boronic acid derivatives and therapeutic uses thereof REMPEX PHARMACEUTICALS, INC. (US) 2018-05-08 — — US disclosed
US-9963467-B2 Boronic acid derivatives and therapeutic uses thereof REMPEX PHARMACEUTICALS, INC. (US) 2018-05-08 — — US disclosed
US-20170088561-A1 BORONIC ACID DERIVATIVES AND THERAPEUTIC USES THEREOF QPEX BIOPHARMA, INC. 2017-03-30 — — US disclosed
US-20170088561-A1 BORONIC ACID DERIVATIVES AND THERAPEUTIC USES THEREOF QPEX BIOPHARMA, INC. 2017-03-30 — — 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

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

For each of this compound's patents that has machine-readable text (1 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 ALDH1A1 1999/4885KDM4E 4553/4885HSD17B10 3364/4885

“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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