Tolyl Boronic Acid

Tolyl Boronic Acid

SCHEMBL3395642

CNC.Cc1ccc(B(O)O)cc1

nearest known ligand 0.84

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.84
LPL P06858 3/20 0.84
LIPG Q9Y5X9 3/20 0.84
ORAI1 Q96D31 1/20 0.59
ORAI2 Q96SN7 1/20 0.59
ORAI3 Q9BRQ5 1/20 0.59
TRPV6 Q9H1D0 1/20 0.59
ENPP2 Q13822 5/20 0.48
CA1 P00915 3/20 0.46
TSHR P16473 1/20 0.46
CA4 P22748 1/20 0.43
CA6 P23280 1/20 0.43
CA5A P35218 1/20 0.43
CA7 P43166 1/20 0.43
CA14 Q9ULX7 1/20 0.43
CA5B Q9Y2D0 1/20 0.43
MGLL Q99685 2/20 0.42
ACHE P22303 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
KDM4E B2RXH2 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
Tolyl Boronic Acid SCHEMBL5600068 0.92 CA2 (1.00) CA2LPLLIPGORAI1ORAI2
Tolyl Boronic Acid SCHEMBL129197 0.92 CA2 (1.00) CA2LPLLIPGORAI1ORAI2
Tolyl Boronic Acid SCHEMBL1992708 0.89 CA2 (0.94) CA2LPLLIPGORAI1ORAI2
Tolyl Boronic Acid SCHEMBL8889893 0.89 CA2 (0.94) CA2LPLLIPGORAI1ORAI2
Tolyl Boronic Acid SCHEMBL19268206 0.89 CA2 (0.94) CA2LPLLIPGORAI1ORAI2
SCHEMBL1853563 0.84 CA2 (0.84) CA2LPLLIPGORAI1ORAI2
Tolyl Boronic Acid SCHEMBL20694970 0.82 CA2 (0.80) CA2LPLLIPGORAI1ORAI2
SCHEMBL2309007 0.80 LPL (0.76) CA2LPLLIPGORAI1ORAI2
Tolyl Boronic Acid SCHEMBL21180370 0.80 CA2 (0.76) CA2LPLLIPGORAI1ORAI2
SCHEMBL257916 0.78 CA2 (0.73) CA2LPLLIPGORAI1ORAI2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2417140-B1 INHIBITORS OF HIV REPLICATION BOEHRINGER INGELHEIM INT (DE) 2014-11-26 EP disclosed
US-8349839-B2 Inhibitors of HIV replication BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-08 US disclosed
US-20100261714-A1 INHIBITORS OF HIV REPLICATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-14 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 (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-20100261714-A1 INHIBITORS OF HIV REPLICATION RTF2, POLR1A, REV1 CA2 4448/4885LPL 4735/4885LIPG 2886/4885

“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.