SCHEMBL3267501

SCHEMBL3267501

C=CCc1cc(CC(=O)O)n[nH]c1=O

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.38
PTGDR Q13258 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37
THRB P10828 8/20 0.36
THRA P10827 7/20 0.36
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
PLEC Q15149 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
GABRA1 P14867 1/20 0.30
GABRB2 P47870 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
HTT P42858 1/20 0.30
CYP26A1 O43174 1/20 0.30
CYP26B1 Q9NR63 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
SCHEMBL14387809 0.72 THRB (0.43) LMNATHRBTHRAPOLBMAPT
SCHEMBL1195823 0.71 CYP2C19 (0.41) PTGDRPTGDR2
SCHEMBL28532363 0.69 PTGDR (0.42) LMNAPTGDRPTGDR2MEN1POLB
SCHEMBL24968908 0.69 TIPARP (0.43) LMNATHRBTHRA
SCHEMBL5989046 0.68 HCAR2 (0.37) LMNATHRBTHRAPOLBMAPT
SCHEMBL1525313 0.67 LMNA (0.47) LMNATHRBTHRAMEN1POLB
SCHEMBL10429633 0.67 TP53 (0.43)
SCHEMBL877436 0.66 HCAR2 (0.52) THRBTHRAMEN1POLBMAPT
SCHEMBL1592992 0.66 GABRA5 (0.43) LMNATHRBTHRAMEN1POLB
Hydrochloric Acid SCHEMBL1371875 0.65 HCAR2 (0.50) THRBTHRAMEN1POLBMAPT

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
EP-2164835-B1 PROCESS FOR PREPARING TRIAZOLONES HOFFMANN LA ROCHE (CH) 2012-12-12 EP disclosed
US-20100280256-A1 PROCESS FOR PREPARING TRIAZOLONES LEE GARY M 2010-11-04 US disclosed
US-7745634-B2 Process for preparing triazolones ROCHE PALO ALTO LLC (US) 2010-06-29 US disclosed
EP-2164835-A2 PROCESS FOR PREPARING TRIAZOLONES F. Hoffmann-Roche AG (CH) 2010-03-24 EP disclosed
US-20090012304-A1 preparation of intermediates 3-[3-(4-methyl-5-methylsulfanyl-4H-[1,2,4]triazol-3-ylmethyl)phenoxy]-5-difluoromethyl-benzonitrile derivatives; for making enzyme inhibitors of HIV-1 reverse transcriptase, treating AIDS and HIV-1 syndromes ROCHE PALO ALTO LLC 2009-01-08 US disclosed
WO-2008145563-A2 PROCESS FOR PREPARING TRIAZOLONES F. HOFFMANN-LA ROCHE AG (CH) 2008-12-04 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-20100280256-A1 PROCESS FOR PREPARING TRIAZOLONES CYP51A1, TNKS, TNKS2 LMNA 1727/4885PTGDR 2511/4885PTGDR2 2693/4885
US-20090012304-A1 preparation of intermediates 3-[3-(4-methyl-5-methylsulfanyl-4H-[1,2,4]triazol-3-ylmethyl)phenoxy]-5-difluoromethyl-benzonitrile derivatives; for making enzyme inhibitors of HIV-1 reverse transcriptase, treating AIDS and HIV-1 syndromes POLRMT, TYMS, POLR1G LMNA 2424/4885PTGDR 4318/4885PTGDR2 4626/4885

“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.