SCHEMBL4963463

SCHEMBL4963463

CS(=O)(=O)OCCc1ccc(OCC(=O)O)cc1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.53
TBXA2R P21731 1/20 0.52
TBXAS1 P24557 1/20 0.52
FFAR1 O14842 1/20 0.48
LMNA P02545 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
ALOX15 P16050 2/20 0.47
PPARA Q07869 2/20 0.46
PPARG P37231 1/20 0.46
PPARD Q03181 1/20 0.46
TSHR P16473 2/20 0.44
HSD17B10 Q99714 1/20 0.44
NR4A1 P22736 1/20 0.44
APEX1 P27695 1/20 0.44
ADRB3 P13945 1/20 0.44

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
SCHEMBL7635754 0.91 FFAR1 (0.51) ALDH1A1TBXA2RTBXAS1FFAR1LMNA
SCHEMBL7335934 0.85 ALDH1A1 (0.49) ALDH1A1LMNAL3MBTL1SMN1; SMN2PPARD
SCHEMBL6374518 0.83 GAA (0.59) ALDH1A1TBXAS1SMN1; SMN2ALOX15PPARA
SCHEMBL31404414 0.82 PTPN1 (0.47) PPARAPPARG
SCHEMBL24041771 0.81 CA1 (0.53) FFAR1PPARAPPARG
SCHEMBL9016830 0.81 NQO1 (0.48) ALDH1A1LMNAL3MBTL1SMN1; SMN2PPARA
SCHEMBL24041852 0.80 CA1 (0.51) FFAR1PPARG
SCHEMBL3258334 0.80 CA2 (0.50) ALDH1A1LMNASMN1; SMN2ALOX15PPARA
SCHEMBL24041893 0.79 FFAR1 (0.57) FFAR1PPARG
SCHEMBL9813836 0.79 ALDH1A1 (0.53) ALDH1A1TBXA2RTBXAS1FFAR1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7351858-B2 Ortho-substituted benzoic acid derivatives for the treatment of insulin resistance ASTRAZENECA AB (SE) 2008-04-01 US disclosed
EP-1517679-B1 ORTHO-SUBSTITUTED BENZOIC ACID DERIVATIVES FOR THE TREATMENT OF INSULIN RESISTANCE ASTRAZENECA AB (SE) 2008-02-13 EP disclosed
US-20050222261-A1 Ortho-substituted benzoic acid derivatives for the treatment of insulin resistance ASTRAZENECA AB, R&D HEADQUARTERS, GLOBAL INTELLECTUAL PROPERTY PATENTS (SE) 2005-10-06 US disclosed
EP-1517679-A1 ORTHO-SUBSTITUTED BENZOIC ACID DERIVATIVES FOR THE TREATMENT OF INSULIN RESISTANCE AstraZeneca AB (SE) 2005-03-30 EP disclosed
WO-2004000294-A1 ORTHO-SUBSTITUTED BENZOIC ACID DERIVATIVES FOR THE TREATMENT OF INSULIN RESISTANCE ASTRAZENECA AB (SE) 2003-12-31 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 (1 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-20050222261-A1 Ortho-substituted benzoic acid derivatives for the treatment of insulin resistance INSR, GPR119, IRS1 ALDH1A1 1463/4885TBXA2R 1213/4885TBXAS1 1056/4885

“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.