SCHEMBL12944830

SCHEMBL12944830

CNCc1ccc(CC(=O)N[C@H]2Cc3cccc(C(=O)O)c3OB2O)cc1

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ GRM7 Q14831 1/20 0.35
▸ ALDH1A1 P00352 5/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ BACE1 P56817 1/20 0.33
▸ LMNA P02545 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ PARP1 P09874 3/20 0.32
▸ APEX1 P27695 1/20 0.32
▸ LTB4R2 Q9NPC1 1/20 0.31

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
SCHEMBL12944805 0.90 KMT2A (0.38) GRM7ALDH1A1MEN1KMT2ABACE1
SCHEMBL15870011 0.90 GRM7 (0.36) GRM7ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL15869950 0.89 PPARG (0.34) ALDH1A1MEN1KMT2AAPEX1
SCHEMBL12944977 0.89 GRM7 (0.37) GRM7ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL15869996 0.87 SMN1; SMN2 (0.36) GRM7ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL12944969 0.87 BCHE (0.39) GRM7ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL12944971 0.86 HDAC1 (0.33) GRM7ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL17337195 0.85 SIGMAR1 (0.39) GRM7ALDH1A1SMN1; SMN2LMNAKDM4E
SCHEMBL17337296 0.85 SIGMAR1 (0.39) GRM7ALDH1A1SMN1; SMN2LMNAKDM4E
SCHEMBL15861733 0.84 L3MBTL1 (0.32) GRM7ALDH1A1SMN1; SMN2BACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9642869-B2 Boronic acid derivatives and therapeutic uses thereof REMPEX PHARMACEUTICALS, INC. (US) 2017-05-09 — — US disclosed
US-20140194385-A1 BORONIC ACID DERIVATIVES AND THERAPEUTIC USES THEREOF QPEX BIOPHARMA, INC. 2014-07-10 — — US disclosed
WO-2010130708-A9 BETA-LACTAMASE INHIBITORS NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2011-01-13 — — WO disclosed
WO-2010130708-A1 BETA-LACTAMASE INHIBITORS NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2010-11-18 — — 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-20140194385-A1 BORONIC ACID DERIVATIVES AND THERAPEUTIC USES THEREOF BPGM, GCG, GBA1 GRM7 3198/4885ALDH1A1 1448/4885SMN1; SMN2 314/4885

“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