SCHEMBL5673263

SCHEMBL5673263

C[C@H](NC(C(=O)O)c1ccccc1Cl)c1cccs1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.44
PYGL P06737 1/20 0.40
ALDH1A1 P00352 3/20 0.39
POLB P06746 3/20 0.39
MAPT P10636 2/20 0.39
HPGD P15428 1/20 0.39
CXCL8 P10145 1/20 0.39
GFER P55789 2/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
ALOX5 P09917 1/20 0.37
HTT P42858 1/20 0.37
APEX1 P27695 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
THRB P10828 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
SCHEMBL6140943 1.00 OPRM1 (0.44) OPRM1PYGLALDH1A1POLBMAPT
SCHEMBL7055714 1.00 OPRM1 (0.44) OPRM1PYGLALDH1A1POLBMAPT
Hydrochloric Acid SCHEMBL4846461 0.99 OPRM1 (0.43) OPRM1PYGLALDH1A1POLBMAPT
Hydrochloric Acid SCHEMBL5444914 0.99 OPRM1 (0.43) OPRM1PYGLALDH1A1POLBMAPT
SCHEMBL6630179 0.88 ALOX5 (0.42) OPRM1PYGLALDH1A1POLBMAPT
SCHEMBL1341906 0.87 OPRM1 (0.42) OPRM1ALDH1A1POLBMAPTHPGD
SCHEMBL29004148 0.87 OPRM1 (0.42) OPRM1ALDH1A1POLBMAPTHPGD
Hydrochloric Acid SCHEMBL28365291 0.86 OPRM1 (0.41) OPRM1ALDH1A1POLBMAPTHPGD
Hydrochloric Acid SCHEMBL1160455 0.86 OPRM1 (0.41) OPRM1ALDH1A1POLBMAPTHPGD
SCHEMBL9040290 0.77 KEAP1 (0.41) PYGLALDH1A1POLBMAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-1021449-B1 HYDROXYACETIC ESTER DERIVATIVES, PREPARATION METHOD AND USE AS SYNTHESIS INTERMEDIATES SANOFI SYNTHELABO (FR) 2002-01-02 EP disclosed
EP-1021449-A1 HYDROXYACETIC ESTER DERIVATIVES, PREPARATION METHOD AND USE AS SYNTHESIS INTERMEDIATES SANOFI-SYNTHELABO (FR) 2000-07-26 EP disclosed
WO-1999018110-A1 HYDROXYACETIC ESTER DERIVATIVES, PREPARATION METHOD AND USE AS SYNTHESIS INTERMEDIATES SANOFI-SYNTHELABO (FR) 1999-04-15 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-20030208077-A1 Hydroxyacetic ester derivatives, preparation method and use as synthesis intermediates HAAO, HTR3C, HTR3A OPRM1 197/4885PYGL 455/4885ALDH1A1 414/4885
US-20040260110-A1 Hydroxyacetic ester derivatives, preparation method and use as synthesis intermediates HAAO, HTR3C, HTR3A OPRM1 197/4885PYGL 455/4885ALDH1A1 414/4885

“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.