SCHEMBL5673266

SCHEMBL5673266

O=C(O)[C@H](OS(=O)(=O)c1cc(Cl)ccc1Cl)c1ccccc1Cl

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ ACLY P53396 1/20 0.39
▸ PPARA Q07869 2/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ FLT1 P17948 1/20 0.39
▸ FLT4 P35916 1/20 0.39
▸ KDR P35968 1/20 0.39
▸ PPARG P37231 1/20 0.39
▸ CNR1 P21554 1/20 0.36
▸ AR P10275 1/20 0.36
▸ SLC1A3 P43003 1/20 0.36
▸ SLC1A2 P43004 1/20 0.36
▸ SLC1A1 P43005 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ MCL1 Q07820 1/20 0.35
▸ GAA P10253 1/20 0.35

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
SCHEMBL7492506 1.00 KDM4E (0.41) KDM4EALDH1A1L3MBTL1ACLYPPARA
SCHEMBL6138912 0.86 MAPK1 (0.39) KDM4EALDH1A1L3MBTL1ACLYMAPK1
SCHEMBL5671784 0.82 TDP1 (0.43) ALDH1A1L3MBTL1PPARAFLT1FLT4
SCHEMBL7490542 0.82 TDP1 (0.43) ALDH1A1L3MBTL1PPARAFLT1FLT4
SCHEMBL5672285 0.80 TDP1 (0.40) ALDH1A1SLC1A3SLC1A2SLC1A1GAA
SCHEMBL7495927 0.80 TDP1 (0.40) ALDH1A1SLC1A3SLC1A2SLC1A1GAA
SCHEMBL5670961 0.77 FABP4 (0.41) ALDH1A1PPARASLC1A3SLC1A2SLC1A1
SCHEMBL5670976 0.75 KEAP1 (0.41) —
SCHEMBL7494636 0.75 KEAP1 (0.41) —
SCHEMBL5672253 0.75 KMT2A (0.41) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030208077-A1 Hydroxyacetic ester derivatives, preparation method and use as synthesis intermediates SANOFI (FR) 2003-11-06 — — US claimed
EP-1021449-B1 HYDROXYACETIC ESTER DERIVATIVES, PREPARATION METHOD AND USE AS SYNTHESIS INTERMEDIATES SANOFI SYNTHELABO (FR) 2002-01-02 — — EP claimed
EP-1021449-A1 HYDROXYACETIC ESTER DERIVATIVES, PREPARATION METHOD AND USE AS SYNTHESIS INTERMEDIATES SANOFI-SYNTHELABO (FR) 2000-07-26 — — EP claimed
WO-1999018110-A1 HYDROXYACETIC ESTER DERIVATIVES, PREPARATION METHOD AND USE AS SYNTHESIS INTERMEDIATES SANOFI-SYNTHELABO (FR) 1999-04-15 — — WO claimed
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 KDM4E 1452/4885ALDH1A1 414/4885L3MBTL1 4368/4885
US-20040260110-A1 Hydroxyacetic ester derivatives, preparation method and use as synthesis intermediates HAAO, HTR3C, HTR3A KDM4E 1452/4885ALDH1A1 414/4885L3MBTL1 4368/4885

“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.

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