SCHEMBL16036503

SCHEMBL16036503

CC[C@@H](NNC(=O)c1ccc2c(c1F)B(O)OC2)C(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RPS6KA1 Q15418 6/20 0.37
AKT1 P31749 4/20 0.32
ROCK2 O75116 1/20 0.32
ROCK1 Q13464 1/20 0.32
PRKCA P17252 1/20 0.31
GRK2 P25098 1/20 0.31
CA12 O43570 5/20 0.31
CA1 P00915 5/20 0.31
CA2 P00918 5/20 0.31
CA9 Q16790 5/20 0.31
CA4 P22748 3/20 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
SCHEMBL16036504 1.00 RPS6KA1 (0.37) RPS6KA1AKT1ROCK2ROCK1PRKCA
SCHEMBL20145976 0.92 RPS6KA1 (0.38) RPS6KA1AKT1ROCK2ROCK1PRKCA
SCHEMBL19977329 0.85 RPS6KA1 (0.36) RPS6KA1AKT1ROCK2ROCK1PRKCA
SCHEMBL16077586 0.83 CA1 (0.30) CA1CA2
SCHEMBL16079389 0.76 CA1 (0.51) CA12CA1CA2CA9CA4
SCHEMBL19582115 0.76 CA2 (0.36) RPS6KA1AKT1PRKCAGRK2CA12
SCHEMBL19582116 0.76 CA2 (0.36) RPS6KA1AKT1PRKCAGRK2CA12
SCHEMBL17600893 0.74 RPS6KA1 (0.35) RPS6KA1
SCHEMBL16077584 0.74 RPS6KA1 (0.35) RPS6KA1
SCHEMBL28426675 0.73 RPS6KA1 (0.36) RPS6KA1AKT1ROCK2ROCK1PRKCA

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 21 patents — showing the first 20. 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-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-20200157122-A1 BORON-CONTAINING DIACYLHYDRAZINES INTREXON CORP (US) 2020-05-21 US disclosed
US-10464951-B2 Boron-containing diacylhydrazines INTREXON CORPORATION (US) 2019-11-05 US disclosed
US-10464951-B2 Boron-containing diacylhydrazines INTREXON CORPORATION (US) 2019-11-05 US disclosed
EP-2970106-B1 BORON-CONTAINING DIACYLHYDRAZINES INTREXON CORP (US) 2018-05-16 EP disclosed
EP-2970106-B1 BORON-CONTAINING DIACYLHYDRAZINES INTREXON CORP (US) 2018-05-16 EP disclosed
US-20180079759-A1 Boron-Containing Diacylhydrazines INTREXON CORPORATION (US) 2018-03-22 US disclosed
US-20180079759-A1 Boron-Containing Diacylhydrazines INTREXON CORPORATION (US) 2018-03-22 US disclosed
US-9512148-B2 Boron-containing diacylhydrazines INTREXON CORPORATION (US) 2016-12-06 US disclosed
EP-2970106-A1 BORON-CONTAINING DIACYLHYDRAZINES Intrexon Corporation (US) 2016-01-20 EP disclosed
US-20150322092-A1 Boron-Containing Diacylhydrazines INTREXON CORPORATION (US) 2015-11-12 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-9127024-B2 Boron-containing diacylhydrazines INTREXON CORPORATION (US) 2015-09-08 US disclosed
WO-2014144380-A1 BORON-CONTAINING DIACYLHYDRAZINES INTREXON CORPORATION (US) 2014-09-18 WO disclosed
US-20140274954-A1 Boron-Containing Diacylhydrazines INTREXON CORPORATION 2014-09-18 US disclosed
US-20140274954-A1 Boron-Containing Diacylhydrazines INTREXON CORPORATION 2014-09-18 US disclosed
US-8623993-B2 Chemicals and the synthesizing methods thereof NATIONAL CHAIO TUNG UNIVERSITY (TW) 2014-01-07 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 (6 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-10464951-B2 Boron-containing diacylhydrazines CD22, BRDT, BCR RPS6KA1 2128/4885AKT1 2793/4885ROCK2 3498/4885
US-20150322092-A1 Boron-Containing Diacylhydrazines CD22, BRDT, BCR RPS6KA1 2128/4885AKT1 2793/4885ROCK2 3498/4885
US-10851119-B2 Boron-containing diacylhydrazines CD22, BRDT, BCR RPS6KA1 2128/4885AKT1 2793/4885ROCK2 3498/4885
US-20200157122-A1 BORON-CONTAINING DIACYLHYDRAZINES CD22, BRDT, BCR RPS6KA1 2128/4885AKT1 2793/4885ROCK2 3498/4885
US-20140274954-A1 Boron-Containing Diacylhydrazines CD22, BRDT, BCR RPS6KA1 2128/4885AKT1 2793/4885ROCK2 3498/4885
US-20180079759-A1 Boron-Containing Diacylhydrazines CD22, BRDT, BCR RPS6KA1 2128/4885AKT1 2793/4885ROCK2 3498/4885

“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.