SCHEMBL5671784

SCHEMBL5671784

O=C(O)[C@H](OS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.43
▸ FLT1 P17948 2/20 0.40
▸ FLT4 P35916 2/20 0.40
▸ KDR P35968 2/20 0.40
▸ HSD11B1 P28845 2/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ CCR2 P41597 1/20 0.39
▸ PPARG P37231 1/20 0.38
▸ PPARA Q07869 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ ADAMTS5 Q9UNA0 2/20 0.38
▸ MMP2 P08253 1/20 0.38
▸ ENPP3 O14638 1/20 0.38
▸ ENPP1 P22413 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ KEAP1 Q14145 1/20 0.37
▸ NFE2L2 Q16236 1/20 0.37
▸ SLC1A3 P43003 1/20 0.37
▸ SLC1A2 P43004 1/20 0.37

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
SCHEMBL7490542 1.00 TDP1 (0.43) TDP1FLT1FLT4KDRHSD11B1
SCHEMBL5672285 0.93 TDP1 (0.40) TDP1HSD11B1MEN1KMT2AENPP3
SCHEMBL7495927 0.93 TDP1 (0.40) TDP1HSD11B1MEN1KMT2AENPP3
SCHEMBL5673248 0.89 KMT2A (0.41) TDP1HSD11B1KMT2AALDH1A1LMNA
SCHEMBL5672253 0.89 KMT2A (0.41) TDP1HSD11B1KMT2AALDH1A1LMNA
SCHEMBL31316 0.85 HSD11B1 (0.43) HSD11B1KMT2AMMP2ALDH1A1KEAP1
SCHEMBL31317 0.85 HSD11B1 (0.43) HSD11B1KMT2AMMP2ALDH1A1KEAP1
SCHEMBL14141983 0.85 HSD11B1 (0.43) HSD11B1KMT2AMMP2ALDH1A1KEAP1
SCHEMBL5120356 0.85 HSD11B1 (0.43) HSD11B1KMT2AMMP2ALDH1A1KEAP1
SCHEMBL6139230 0.85 PSEN1 (0.43) TDP1FLT1FLT4KDRL3MBTL1

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 TDP1 2832/4885FLT1 4161/4885FLT4 3028/4885
US-20040260110-A1 Hydroxyacetic ester derivatives, preparation method and use as synthesis intermediates HAAO, HTR3C, HTR3A TDP1 2832/4885FLT1 4161/4885FLT4 3028/4885

“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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