SCHEMBL6425521

SCHEMBL6425521

CS(=O)(=O)OCC(CO)Cc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.43
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPK1 P28482 1/20 0.38
ALDH1A1 P00352 1/20 0.38
THRB P10828 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MMP8 P22894 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
SRR Q9GZT4 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
HPGD P15428 2/20 0.36
LAP3 P28838 1/20 0.36
MMP2 P08253 4/20 0.36
MMP9 P14780 3/20 0.36
PPARG P37231 1/20 0.36

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
SCHEMBL6153824 1.00 TRPA1 (0.43) TRPA1CYP1A2CYP3A4MAPK1ALDH1A1
SCHEMBL6154333 1.00 TRPA1 (0.43) TRPA1CYP1A2CYP3A4MAPK1ALDH1A1
SCHEMBL6154294 0.84 MME (0.41) MEN1KMT2APPARGPPARA
SCHEMBL11081780 0.83 PIN1 (0.41) TRPA1CYP1A2MEN1KMT2ASRR
SCHEMBL6153593 0.82 ALDH1A1 (0.46) CYP1A2ALDH1A1MMP8MEN1KMT2A
SCHEMBL6154318 0.82 ALDH1A1 (0.46) CYP1A2ALDH1A1MMP8MEN1KMT2A
SCHEMBL6154154 0.82 ALDH1A1 (0.46) CYP1A2ALDH1A1MMP8MEN1KMT2A
SCHEMBL6153740 0.80 GAA (0.44) CYP1A2CYP3A4ALDH1A1PPARGPPARA
SCHEMBL4756128 0.80 CA1 (0.40) CYP1A2MEN1KMT2ASRR
SCHEMBL4756135 0.80 CA1 (0.40) CYP1A2MEN1KMT2ASRR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050143593-A1 Process for producing 2-aralkylpropionic acid derivative KANEKA CORPORATION (JP) 2005-06-30 US disclosed
EP-1466895-A1 PROCESS FOR PRODUCING 2-ARALKYLPROPIONIC ACID DERIVATIVE KANEKA CORPORATION (JP) 2004-10-13 EP 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-20050143593-A1 Process for producing 2-aralkylpropionic acid derivative AASDHPPT, ADSL, HACL2 TRPA1 828/4885CYP1A2 1178/4885CYP3A4 1433/4885

“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.