SCHEMBL4256145

SCHEMBL4256145

CCCS(=O)(=O)c1cccc(C(=O)OC)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOX P28300 1/20 0.51
ALDH1A1 P00352 3/20 0.50
KDM4E B2RXH2 3/20 0.50
KMT2A Q03164 2/20 0.50
POLB P06746 1/20 0.50
MAPK1 P28482 1/20 0.49
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA9 Q16790 1/20 0.49
LOXL2 Q9Y4K0 1/20 0.49
CYP4F2 P78329 2/20 0.48
CYP4A11 Q02928 2/20 0.48
TCF4 P15884 2/20 0.47
CTNNB1 P35222 2/20 0.47
SLC40A1 Q9NP59 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
ACLY P53396 2/20 0.45
CTSG P08311 1/20 0.45

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
Methyl Benzoate SCHEMBL27948852 0.89 L3MBTL1 (0.49) LOXALDH1A1KDM4EKMT2APOLB
SCHEMBL23224423 0.89 LOX (0.54) LOXALDH1A1KDM4EKMT2APOLB
SCHEMBL23214492 0.84 LOX (0.48) LOXALDH1A1KDM4EKMT2APOLB
SCHEMBL4248338 0.83 CYP2C19 (0.55) ALDH1A1KMT2ACA1CA2
SCHEMBL22557351 0.82 CYP2C19 (0.56) LOXALDH1A1KMT2ASLC40A1ACLY
SCHEMBL11196979 0.81 GAA (0.49) ALDH1A1GAA
SCHEMBL31656383 0.81 GAA (0.49) ALDH1A1GAA
SCHEMBL17048482 0.81 LOX (0.50) LOXALDH1A1KDM4EKMT2APOLB
SCHEMBL2884607 0.80 LOX (0.66) LOXALDH1A1KDM4EKMT2APOLB
SCHEMBL28258569 0.80 CYP2C19 (0.53) ALDH1A1MAPK1SLC40A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090227588-A1 Substituted pyrazole compounds useful as soluble epoxide hyrolase inhibitors FLECK ROMAN WOLFGANG 2009-09-10 US disclosed
EP-1960367-A2 SUBSTITUTED PYRAZOLE COMPOUNDS USEFUL AS SOLUBLE EPOXIDE HYDROLASE INHIBITORS Boehringer Ingelheim International GmbH (DE) 2008-08-27 EP disclosed
WO-2007067836-A2 SUBSTITUTED PYRAZOLE COMPOUNDS USEFUL AS SOLUBLE EPOXIDE HYDROLASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-06-14 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 (1 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-20090227588-A1 Substituted pyrazole compounds useful as soluble epoxide hyrolase inhibitors EPHX1, EPHX2, EPX LOX 105/4885ALDH1A1 376/4885KDM4E 1988/4885

“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.