SCHEMBL16079389

SCHEMBL16079389

CCC(NNC(=O)c1ccc2c(c1)B(O)OC2)C(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CA1 P00915 7/20 0.51
CA2 P00918 7/20 0.51
CA12 O43570 6/20 0.51
CA9 Q16790 6/20 0.51
CA4 P22748 5/20 0.51
PRSS1 P07477 1/20 0.41
PRSS2 P07478 1/20 0.41
PRSS3 P35030 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
SCHEMBL19977289 0.80 CA1 (0.59) CA1CA2CA12CA9CA4
SCHEMBL16038237 0.80 CA1 (0.59) CA1CA2CA12CA9CA4
SCHEMBL21587286 0.77 CA1 (0.62) CA1CA2CA12CA9CA4
SCHEMBL16036503 0.76 RPS6KA1 (0.37) CA1CA2CA12CA9CA4
SCHEMBL16036504 0.76 RPS6KA1 (0.37) CA1CA2CA12CA9CA4
SCHEMBL19582180 0.76 CA2 (0.58) CA1CA2CA12CA9CA4
SCHEMBL18360534 0.76 CA1 (0.54) CA1CA2CA12CA9CA4
SCHEMBL22031678 0.76 CA1 (0.54) CA1CA2CA12CA9CA4
SCHEMBL19582181 0.76 CA2 (0.58) CA1CA2CA12CA9CA4
SCHEMBL29091146 0.76 CA1 (0.58) CA1CA2CA12CA9CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10851119-B2 Boron-containing diacylhydrazines INTREXON CORPORATION (US) 2020-12-01 US disclosed
US-20200157122-A1 BORON-CONTAINING DIACYLHYDRAZINES INTREXON CORP (US) 2020-05-21 US disclosed
US-9512148-B2 Boron-containing diacylhydrazines INTREXON CORPORATION (US) 2016-12-06 US disclosed
US-20150322092-A1 Boron-Containing Diacylhydrazines INTREXON CORPORATION (US) 2015-11-12 US disclosed
US-9127024-B2 Boron-containing diacylhydrazines INTREXON CORPORATION (US) 2015-09-08 US disclosed
US-20140274954-A1 Boron-Containing Diacylhydrazines INTREXON CORPORATION 2014-09-18 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 (4 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-20150322092-A1 Boron-Containing Diacylhydrazines CD22, BRDT, BCR CA1 2249/4885CA2 1770/4885CA12 300/4885
US-10851119-B2 Boron-containing diacylhydrazines CD22, BRDT, BCR CA1 2249/4885CA2 1770/4885CA12 300/4885
US-20200157122-A1 BORON-CONTAINING DIACYLHYDRAZINES CD22, BRDT, BCR CA1 2249/4885CA2 1770/4885CA12 300/4885
US-20140274954-A1 Boron-Containing Diacylhydrazines CD22, BRDT, BCR CA1 2249/4885CA2 1770/4885CA12 300/4885

“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.