SCHEMBL3199746

SCHEMBL3199746

CC[C@H](OS(C)(=O)=O)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
PPARG P37231 3/20 0.33
PPARA Q07869 2/20 0.33
PMP22 Q01453 1/20 0.32
GCLC P48506 1/20 0.32
CA2 P00918 1/20 0.31
MAPK1 P28482 1/20 0.31
CHRM1 P11229 1/20 0.31
AKR1A1 P14550 1/20 0.31
CHRM3 P20309 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
ADRA1A P35348 1/20 0.31
HRH1 P35367 1/20 0.31
DRD3 P35462 1/20 0.31
SLC6A3 Q01959 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL4745489 1.00 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2PPARGPPARAPMP22
SCHEMBL2322915 1.00 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2PPARGPPARAPMP22
SCHEMBL9350162 0.83 HDAC1 (0.43) ALDH1A1PPARGPPARAPMP22CA2
SCHEMBL7274699 0.83 HDAC1 (0.43) ALDH1A1PPARGPPARAPMP22CA2
SCHEMBL2327532 0.83 HDAC1 (0.43) ALDH1A1PPARGPPARAPMP22CA2
SCHEMBL31573244 0.82 SMN1; SMN2 (0.38) SMN1; SMN2PPARGPPARAGCLCCA2
SCHEMBL31573243 0.82 SMN1; SMN2 (0.38) SMN1; SMN2PPARGPPARAGCLCCA2
SCHEMBL7393830 0.82 SMN1; SMN2 (0.38) SMN1; SMN2PPARGPPARAGCLCCA2
SCHEMBL5383912 0.80 ALDH1A1 (0.37) ALDH1A1SMN1; SMN2PMP22TDP1
SCHEMBL5383907 0.80 ALDH1A1 (0.37) ALDH1A1SMN1; SMN2PMP22TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1852426-B1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE PPAR-ACTIVATING COMPOUND AND INTERMEDIATE OF THE SAME KOWA CO (JP) 2013-11-13 EP disclosed
US-7790903-B2 Process for production of optically active PPAR-activating compound and intermediate of the same KOWA CO., LTD. (JP) 2010-09-07 US disclosed
US-20080194833-A1 Process For Production of Optically Active Ppar-Activating Compound and Intermediate of the Same KOWA CO., LTD. (JP) 2008-08-14 US disclosed
EP-1852426-A1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE PPAR-ACTIVATING COMPOUND AND INTERMEDIATE OF THE SAME Kowa Company, Ltd. (JP) 2007-11-07 EP disclosed
WO-2000076960-A1 PROCESS FOR THE PREPARATION OF OPTICALLY ACTIVE N-ACYL DERIVATIVES OF METHYL N-(2,6-DIMETHYLPHENYL)-D-ALANINATE ISAGRO S.P.A. (IT) 2000-12-21 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-20080194833-A1 Process For Production of Optically Active Ppar-Activating Compound and Intermediate of the Same PPARA, PPARG, PPARD ALDH1A1 722/4885SMN1; SMN2 4842/4885PPARG 2/4885

“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.