SCHEMBL3552696

SCHEMBL3552696

CCCCOc1ccc(S(=O)(=O)Nc2ccccc2CCCCCc2ccccc2C(=O)O)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 2/20 0.57
PLK1 P53350 1/20 0.53
LMNA P02545 4/20 0.52
HTT P42858 3/20 0.52
KDM4E B2RXH2 2/20 0.52
NPC1 O15118 1/20 0.52
GAA P10253 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
MCL1 Q07820 1/20 0.50
BCL2A1 Q16548 1/20 0.50
METAP2 P50579 2/20 0.49
SQSTM1 Q13501 1/20 0.48
KEAP1 Q14145 1/20 0.48
NFE2L2 Q16236 1/20 0.48
ELANE P08246 1/20 0.48
PRTN3 P24158 1/20 0.48
SLC16A3 O15427 4/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
ALDH1A1 P00352 2/20 0.47
RCE1 Q9Y256 1/20 0.47

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
SCHEMBL3562391 0.97 WDR5 (0.58) WDR5PLK1LMNAHTTKDM4E
SCHEMBL3560029 0.96 WDR5 (0.59) WDR5PLK1LMNAHTTKDM4E
SCHEMBL3563777 0.88 LMNA (0.57) LMNAHTTKDM4EGAASQSTM1
SCHEMBL9191912 0.88 WDR5 (0.68) WDR5PLK1LMNAHTTKDM4E
SCHEMBL27770315 0.87 WDR5 (0.72) WDR5PLK1LMNAHTTKDM4E
SCHEMBL3558258 0.86 METAP2 (0.60) WDR5PLK1KDM4EMCL1METAP2
SCHEMBL3562322 0.85 SLC16A3 (0.56) KDM4EMETAP2SLC16A3ALDH1A1TSHR
SCHEMBL3551774 0.85 LMNA (0.58) LMNAHTTKDM4EGAASQSTM1
SCHEMBL3557805 0.85 SLC16A3 (0.65) KDM4EGAAMETAP2SLC16A3ALDH1A1
SCHEMBL3564778 0.85 SLC16A3 (0.64) LMNAKDM4EGAAMCL1METAP2

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-7816397-B2 Phenylcarboxylic acid derivatives and use thereof for the treatment of diabetes MERCK PATENT GMBH (DE) 2010-10-19 US claimed
US-20080045483-A1 Phenylcarboxylic Acid Derivatives and Use Thereof for the Treatment of Diabetes MERCK PATENT GMBH (DE) 2008-02-21 US claimed
US-7816397-B2 Phenylcarboxylic acid derivatives and use thereof for the treatment of diabetes MERCK PATENT GMBH (DE) 2010-10-19 US disclosed
US-20080045483-A1 Phenylcarboxylic Acid Derivatives and Use Thereof for the Treatment of Diabetes MERCK PATENT GMBH (DE) 2008-02-21 US 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-20080045483-A1 Phenylcarboxylic Acid Derivatives and Use Thereof for the Treatment of Diabetes SLC5A1, ALDH7A1, ASS1 WDR5 1795/4885PLK1 4876/4885LMNA 2120/4885

“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.