SCHEMBL16739657

SCHEMBL16739657

CCOC(=O)C(=O)CBr.CCOC(=O)C(=O)CBr

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.56
TRPA1 O75762 1/20 0.56
LMNA P02545 2/20 0.43
HSD17B10 Q99714 1/20 0.43
NPSR1 Q6W5P4 2/20 0.43
GLO1 Q04760 1/20 0.43
ALOX15 P16050 1/20 0.42
MGAM O43451 1/20 0.42
GAA P10253 1/20 0.42
SI P14410 1/20 0.42
MGAM2 Q2M2H8 1/20 0.42
SOAT1 P35610 1/20 0.42
TSHR P16473 1/20 0.41
FAAH O00519 2/20 0.41
EGLN1 Q9GZT9 1/20 0.40
MAPT P10636 2/20 0.39
CTDSP1 Q9GZU7 1/20 0.38
CYP2D6 P10635 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MEN1 O00255 1/20 0.37

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
SCHEMBL71304 1.00
SCHEMBL8349207 0.97 ALDH1A1 (0.54) ALDH1A1TRPA1LMNAHSD17B10NPSR1
Bromopyruvate SCHEMBL29058425 0.91 ALDH1A1 (0.48) ALDH1A1TRPA1LMNAHSD17B10NPSR1
SCHEMBL8630186 0.85 ALDH1A1 (0.52) ALDH1A1TRPA1LMNAHSD17B10NPSR1
SCHEMBL28614733 0.81 ALDH1A1 (0.48) ALDH1A1TRPA1LMNAHSD17B10NPSR1
SCHEMBL10644453 0.80 FAAH (0.47) ALDH1A1TRPA1LMNAHSD17B10NPSR1
SCHEMBL274916 0.80 ALDH1A1 (0.41) ALDH1A1TRPA1LMNAGAATSHR
SCHEMBL7103340 0.80 NPSR1 (0.50) ALDH1A1TRPA1LMNAHSD17B10NPSR1
SCHEMBL7103341 0.80 NPSR1 (0.50) ALDH1A1TRPA1LMNAHSD17B10NPSR1
SCHEMBL8920168 0.78 ALDH1A1 (0.45) ALDH1A1TRPA1LMNAHSD17B10NPSR1

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-10584115-B2 Substituted pyridine and pyrazine BMI-1 inhibitors PTC THERAPEUTICS, INC. (US) 2020-03-10 US disclosed
US-20160280685-A1 SUBSTITUTED PYRIDINE AND PYRAZINE BMI-1 INHIBITORS PTC THERAPEUTICS, INC. 2016-09-29 US disclosed
EP-3071553-A1 SUBSTITUTED PYRIDINE AND PYRAZINE BMI-1 INHIBITORS PTC Therapeutics, Inc. (US) 2016-09-28 EP disclosed
WO-2015076800-A1 SUBSTITUTED PYRIDINE AND PYRAZINE BMI-1 INHIBITORS PTC THERAPEUTICS, INC. (US) 2015-05-28 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 (2 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-20160280685-A1 SUBSTITUTED PYRIDINE AND PYRAZINE BMI-1 INHIBITORS BMI1, BAZ2A, BAZ2B ALDH1A1 1727/4885TRPA1 4717/4885LMNA 3602/4885
US-10584115-B2 Substituted pyridine and pyrazine BMI-1 inhibitors BMI1, BAZ2A, BAZ2B ALDH1A1 1727/4885TRPA1 4717/4885LMNA 3602/4885

“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.