SCHEMBL16034945

SCHEMBL16034945

[2H]C([2H])([2H])c1cc(C(=O)Cl)cc(C([2H])([2H])[2H])c1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TPMT P51580 1/20 0.41
ALDH1A1 P00352 2/20 0.34
TSHR P16473 2/20 0.34
HPGD P15428 1/20 0.31
HCAR1 Q9BXC0 1/20 0.31
PARP1 P09874 1/20 0.30
HCAR2 Q8TDS4 1/20 0.30
GLRA1 P23415 1/20 0.30
PRSS1 P07477 1/20 0.30
PRSS2 P07478 1/20 0.30
C1S P09871 1/20 0.30
PRSS3 P35030 1/20 0.30

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
SCHEMBL16077608 0.96 TPMT (0.48) TPMTALDH1A1TSHRHPGDHCAR1
SCHEMBL347092 0.82 TPMT (0.59) TPMTALDH1A1TSHRHPGDHCAR1
SCHEMBL4360630 0.77 TPMT (0.52) TPMTALDH1A1HPGDHCAR1PARP1
Ethane SCHEMBL29138437 0.73 ALDH1A1 (0.37) TPMTALDH1A1TSHRGLRA1
SCHEMBL15700662 0.73 TPMT (0.43) TPMTALDH1A1TSHRHPGDHCAR1
SCHEMBL38576 0.73 ALDH1A1 (0.40) TPMTALDH1A1TSHRHCAR1GLRA1
SCHEMBL3968747 0.71 TSHR (0.61) ALDH1A1TSHR
Toluene SCHEMBL29061412 0.71 TPMT (0.52) TPMTALDH1A1TSHRHCAR1PARP1
Acetone SCHEMBL28498158 0.71 LMNA (0.38) TPMTALDH1A1TSHRHPGDGLRA1
Acetonitrile SCHEMBL28680119 0.70 TPMT (0.33) TPMTALDH1A1TSHRGLRA1

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 11 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-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
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-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

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 TPMT 4408/4885ALDH1A1 2724/4885TSHR 236/4885
US-20150322092-A1 Boron-Containing Diacylhydrazines CD22, BRDT, BCR TPMT 4408/4885ALDH1A1 2724/4885TSHR 236/4885
US-10851119-B2 Boron-containing diacylhydrazines CD22, BRDT, BCR TPMT 4408/4885ALDH1A1 2724/4885TSHR 236/4885
US-20200157122-A1 BORON-CONTAINING DIACYLHYDRAZINES CD22, BRDT, BCR TPMT 4408/4885ALDH1A1 2724/4885TSHR 236/4885
US-20140274954-A1 Boron-Containing Diacylhydrazines CD22, BRDT, BCR TPMT 4408/4885ALDH1A1 2724/4885TSHR 236/4885
US-20180079759-A1 Boron-Containing Diacylhydrazines CD22, BRDT, BCR TPMT 4408/4885ALDH1A1 2724/4885TSHR 236/4885

“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.