SCHEMBL5670976

SCHEMBL5670976

Cc1cc(C)c(S(=O)(=O)O[C@@H](C(=O)O)c2ccccc2Cl)c(C)c1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KEAP1 Q14145 10/20 0.41
▸ NFE2L2 Q16236 10/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ EPHX2 P34913 4/20 0.38
▸ CTSA P10619 1/20 0.36
▸ CASP1 P29466 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
SCHEMBL7494636 1.00 KEAP1 (0.41) KEAP1NFE2L2MEN1LMNAMAPT
SCHEMBL6139499 0.88 EPHX2 (0.39) KEAP1NFE2L2MEN1LMNAMAPT
SCHEMBL5673248 0.82 KMT2A (0.41) LMNAKMT2ASMN1; SMN2CASP1
SCHEMBL5672253 0.82 KMT2A (0.41) LMNAKMT2ASMN1; SMN2CASP1
SCHEMBL5671763 0.80 ENPP3 (0.43) EPHX2
SCHEMBL7493489 0.80 ENPP3 (0.43) EPHX2
SCHEMBL5672285 0.79 TDP1 (0.40) MEN1LMNAKMT2ACASP1
SCHEMBL7495927 0.79 TDP1 (0.40) MEN1LMNAKMT2ACASP1
SCHEMBL5670961 0.79 FABP4 (0.41) MEN1LMNAKMT2ACASP1
SCHEMBL7490542 0.76 TDP1 (0.43) KEAP1NFE2L2MEN1LMNAKMT2A

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
US-20030208077-A1 Hydroxyacetic ester derivatives, preparation method and use as synthesis intermediates SANOFI (FR) 2003-11-06 — — US claimed
EP-0988292-B1 PIPERAZINE DERIVATIVES AND THEIR USE AS ANTI-INFLAMMATORY AGENTS SCHERING AG (DE) 2003-02-12 — — EP 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 KEAP1 3856/4885NFE2L2 3446/4885MEN1 2274/4885
US-20040260110-A1 Hydroxyacetic ester derivatives, preparation method and use as synthesis intermediates HAAO, HTR3C, HTR3A KEAP1 3856/4885NFE2L2 3446/4885MEN1 2274/4885

“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.

Send feedback