SCHEMBL17286513

SCHEMBL17286513

COc1ccc2c(c1C(=O)O)OB(O)[C@@H](NC(=O)CSC1CNC1)C2

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.31
▸ TBXAS1 P24557 1/20 0.31
▸ NPC1 O15118 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ TSHR P16473 1/20 0.30
▸ MAPK1 P28482 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
SCHEMBL18662441 1.00 POLB (0.31) POLBTBXAS1NPC1ALDH1A1RAB9A
SCHEMBL17286497 0.87 CA12 (0.33) POLBTBXAS1ALDH1A1RAB9ATSHR
SCHEMBL18662404 0.87 CA12 (0.33) POLBTBXAS1ALDH1A1RAB9ATSHR
SCHEMBL18662392 0.87 CAT (0.40) —
SCHEMBL18662394 0.87 CAT (0.40) —
SCHEMBL23130216 0.84 MTNR1A (0.40) MAPK1
SCHEMBL17347651 0.84 MTNR1A (0.40) MAPK1
SCHEMBL18662398 0.84 TSHR (0.30) TSHRMAPK1
SCHEMBL17286510 0.84 TSHR (0.30) TSHRMAPK1
SCHEMBL23129929 0.82 MTNR1B (0.42) ALDH1A1

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 7 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
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-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 POLB 1563/4885TBXAS1 2569/4885NPC1 399/4885

“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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