SCHEMBL3540841

SCHEMBL3540841

CS(=O)(=O)OCCCc1ccc(-c2ccc(CCCOS(C)(=O)=O)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.52
KDM4E B2RXH2 1/20 0.52
USP2 O75604 1/20 0.52
LMNA P02545 1/20 0.52
MMP9 P14780 1/20 0.52
ALOX15 P16050 1/20 0.52
TSHR P16473 1/20 0.52
RARB P10826 6/20 0.40
CHRNA7 P36544 2/20 0.39
CHRNA10 Q9GZZ6 2/20 0.39
CHRNA9 Q9UGM1 2/20 0.39
FDFT1 P37268 2/20 0.38
CA2 P00918 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MEN1 O00255 1/20 0.38
RARA P10276 1/20 0.38
MAPT P10636 1/20 0.38
MTOR P42345 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL3186662 0.93 RARB (0.50) ALDH1A1KDM4EUSP2LMNAMMP9
SCHEMBL6616820 0.93 KDM4E (0.45) ALDH1A1KDM4EUSP2LMNAMMP9
SCHEMBL2453322 0.87 ALDH1A1 (0.50) ALDH1A1KDM4EUSP2LMNAMMP9
SCHEMBL6283344 0.87 CA2 (0.53) ALDH1A1KDM4EUSP2LMNAMMP9
SCHEMBL6284410 0.87 ALDH1A1 (0.50) ALDH1A1KDM4EUSP2LMNAMMP9
SCHEMBL408714 0.85 TSHR (0.48) ALDH1A1KDM4EUSP2LMNAMMP9
SCHEMBL6279711 0.85 CA2 (0.54) ALDH1A1KDM4EUSP2LMNAMMP9
SCHEMBL1334286 0.85 ALDH1A1 (0.48) ALDH1A1KDM4EUSP2LMNAMMP9
SCHEMBL4970012 0.85 KDM4E (0.48) ALDH1A1KDM4EUSP2LMNAMMP9
SCHEMBL8574884 0.85 ALDH1A1 (0.48) ALDH1A1KDM4EUSP2LMNAMMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7816385-B2 Dimeric dicarboxylic acid derivatives, their preparation and use HIGH POINT PHARMACEUTICALS, LLC (US) 2010-10-19 US disclosed
EP-1578716-A1 DICARBOXYLIC ACID DERIVATIVES AS PPAR-AGONISTS NOVO NORDISK A/S (DK) 2005-09-28 EP disclosed
US-20040259950-A1 Novel compounds, their preparation and use HIGH POINT PHARMACEUTICALS, LLC 2004-12-23 US disclosed
WO-2004056740-A1 DICARBOXYLIC ACID DERIVATIVES AS PPAR-AGONISTS NOVO NORDISK A/S (DK) 2004-07-08 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-20040259950-A1 Novel compounds, their preparation and use PPARG, PPARA, PPARD ALDH1A1 926/4885KDM4E 3030/4885USP2 3816/4885

“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.