SCHEMBL3533344

SCHEMBL3533344

CS(=O)(=O)OCCCc1ccc(Sc2ccc(CCCOS(C)(=O)=O)cc2C(F)(F)F)c(C(F)(F)F)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.36
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
MMP9 P14780 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
GPR84 Q9NQS5 1/20 0.35
DAO P14920 2/20 0.33
S1PR1 P21453 1/20 0.33
POLB P06746 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
IDO1 P14902 2/20 0.32
HSD11B1 P28845 2/20 0.32
AR P10275 1/20 0.31
EPHX2 P34913 1/20 0.30
PPARG P37231 1/20 0.30
PDE3B Q13370 1/20 0.30
PDE3A Q14432 1/20 0.30
CA1 P00915 1/20 0.30

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
SCHEMBL2904642 0.76 KMT2A (0.49) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL3532812 0.74 SLC6A2 (0.42) ALOX15GPR84DAOS1PR1IDO1
SCHEMBL1579060 0.74 TAAR1 (0.50) TSHRDAOIDO1
SCHEMBL5219832 0.73 TSHR (0.44) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL3537907 0.71 PDE3B (0.46) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL6620322 0.71 BCHE (0.44) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL3597828 0.71 NPSR1 (0.48) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL8574884 0.70 ALDH1A1 (0.48) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL25214525 0.70 DAO (0.43) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL30469149 0.70 DAO (0.43) KDM4EUSP2ALDH1A1LMNAMMP9

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 KDM4E 3030/4885USP2 3816/4885ALDH1A1 926/4885

“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.