SCHEMBL17286495

SCHEMBL17286495

COc1ccc2c(c1C(=O)O)OB(O)[C@@H](NC(=O)Cc1cccs1)C2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ KMT2A Q03164 7/20 0.44
▸ POLB P06746 6/20 0.44
▸ MEN1 O00255 6/20 0.44
▸ L3MBTL1 Q9Y468 3/20 0.44
▸ ALDH1A1 P00352 3/20 0.44
▸ TDP1 Q9NUW8 2/20 0.44
▸ MAPT P10636 2/20 0.44
▸ RECQL P46063 2/20 0.44
▸ CTDSP1 Q9GZU7 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ THRB P10828 1/20 0.44
▸ BLM P54132 1/20 0.44
▸ ATM Q13315 1/20 0.44
▸ USP2 O75604 1/20 0.44
▸ LMNA P02545 3/20 0.43
▸ TSHR P16473 1/20 0.42
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ SIGMAR1 Q99720 1/20 0.39

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
SCHEMBL18662389 1.00 SMN1; SMN2 (0.44) SMN1; SMN2KMT2APOLBMEN1L3MBTL1
SCHEMBL18662417 0.86 SIGMAR1 (0.42) SMN1; SMN2KMT2APOLBMEN1ALDH1A1
SCHEMBL17286470 0.86 SIGMAR1 (0.42) SMN1; SMN2KMT2APOLBMEN1ALDH1A1
SCHEMBL17347651 0.85 MTNR1A (0.40) SMN1; SMN2L3MBTL1MAPT
SCHEMBL23130216 0.85 MTNR1A (0.40) SMN1; SMN2L3MBTL1MAPT
SCHEMBL18662409 0.83 CA12 (0.33) L3MBTL1ALDH1A1RAB9ASIGMAR1
SCHEMBL17347661 0.83 MTNR1B (0.42) ALDH1A1
SCHEMBL23129929 0.83 MTNR1B (0.42) ALDH1A1
SCHEMBL17286499 0.83 CA12 (0.33) L3MBTL1ALDH1A1RAB9ASIGMAR1
SCHEMBL18662404 0.82 CA12 (0.33) POLBL3MBTL1ALDH1A1MAPTKDM4E

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 SMN1; SMN2 836/4885KMT2A 4140/4885POLB 1563/4885

“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.

Send feedback