SCHEMBL4745489

SCHEMBL4745489

CCC(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
SCHEMBL3199746 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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110326150-B Nonaqueous electrolyte solution and electricity storage device 三菱化学株式会社 2022-05-03 CN disclosed
CN-111344891-A Nonaqueous electrolyte solution and energy device using same 三菱化学株式会社 2020-06-26 CN disclosed
CN-111108642-A Nonaqueous electrolyte, nonaqueous electrolyte secondary battery, and energy device 三菱化学株式会社 2020-05-05 CN disclosed
WO-2008109991-A1 INHIBITORS OF CARNITINE PALMITOYLTRANSFERASE AND TREATING CANCER UNIVERSITY HEALTH NETWORK (CA) 2008-09-18 WO disclosed
US-20070142472-A1 Process for producing optically active 3-(4-hydroxyphenyl)proprionic acids TAKASAGO INTERNATIONAL CORPORATION (JP) 2007-06-21 US disclosed
US-20070142472-A1 Process for producing optically active 3-(4-hydroxyphenyl)proprionic acids TAKASAGO INTERNATIONAL CORPORATION (JP) 2007-06-21 US disclosed
US-7153969-B2 Hydroxyacetic ester derivatives, preparation method and use as synthesis intermediates SANOFI-AVENTIS (FR) 2006-12-26 US disclosed
US-6894186-B2 Hydroxyacetic ester derivatives, preparation method and use as synthesis intermediates SANOFI-SYNTHELABO (FR) 2005-05-17 US disclosed
US-20040260110-A1 Hydroxyacetic ester derivatives, preparation method and use as synthesis intermediates SANOFI (FR) 2004-12-23 US disclosed
US-20030208077-A1 Hydroxyacetic ester derivatives, preparation method and use as synthesis intermediates SANOFI (FR) 2003-11-06 US disclosed
US-6573381-B1 Useful as intermediates, notably for the synthesis of methyl (S)-2(2-chlorophenyl)-2(4,5,6,7-tetrahydrothieno(3,2-c)-5-pyridyl)acetate or clopidrogel SANOFI-SYNTHELABO (FR) 2003-06-03 US disclosed
EP-0624152-A1 PROCESS FOR PREPARING KETONE ENANTIOMER. PFIZER (US) 1994-11-17 EP disclosed
WO-1993012062-A1 PROCESS FOR PREPARING KETONE ENANTIOMER PFIZER INC. (US) 1993-06-24 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 (3 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-20030208077-A1 Hydroxyacetic ester derivatives, preparation method and use as synthesis intermediates HAAO, HTR3C, HTR3A ALDH1A1 414/4885SMN1; SMN2 3582/4885PPARG 1703/4885
US-20040260110-A1 Hydroxyacetic ester derivatives, preparation method and use as synthesis intermediates HAAO, HTR3C, HTR3A ALDH1A1 414/4885SMN1; SMN2 3582/4885PPARG 1703/4885
US-20070142472-A1 Process for producing optically active 3-(4-hydroxyphenyl)proprionic acids ALDH1A2, ALDH1A3, GRHPR ALDH1A1 5/4885SMN1; SMN2 806/4885PPARG 1052/4885

“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.