SCHEMBL3563500

SCHEMBL3563500

CCCCOc1ccc(S(=O)(=O)Nc2ccccc2CCCc2cccc(C(=O)O)c2)cc1

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 7/20 0.63
KAT6A Q92794 2/20 0.50
METAP2 P50579 1/20 0.50
WDR5 P61964 2/20 0.49
MCL1 Q07820 1/20 0.48
BCL2A1 Q16548 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
S1PR3 Q99500 1/20 0.48
SQSTM1 Q13501 1/20 0.47
KEAP1 Q14145 1/20 0.47
NFE2L2 Q16236 1/20 0.47
PLA2G4B P0C869 1/20 0.47
NR1H4 Q96RI1 1/20 0.46

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
SCHEMBL3561921 0.95 SLC16A3 (0.70) SLC16A3KAT6AMETAP2WDR5MCL1
SCHEMBL3565536 0.90 SLC16A3 (0.68) SLC16A3KAT6AMETAP2MCL1MEN1
SCHEMBL3564970 0.89 SLC16A3 (0.59) SLC16A3METAP2WDR5MCL1BCL2A1
SCHEMBL3562556 0.89 SLC16A3 (0.67) SLC16A3MEN1KMT2AKEAP1NFE2L2
SCHEMBL3563748 0.88 SLC16A3 (0.68) SLC16A3KAT6AMETAP2MCL1MEN1
SCHEMBL3554625 0.87 SLC16A3 (0.69) SLC16A3KAT6AMETAP2MEN1KMT2A
SCHEMBL3557013 0.87 SLC16A3 (0.74) SLC16A3KAT6AMETAP2MEN1KMT2A
SCHEMBL3555460 0.86 SLC16A3 (0.74) SLC16A3KAT6AMETAP2MCL1
SCHEMBL3558496 0.86 SLC16A3 (0.70) SLC16A3METAP2
SCHEMBL3562391 0.86 WDR5 (0.58) METAP2WDR5MCL1BCL2A1KMT2A

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 SLC16A3 425/4885KAT6A 4632/4885METAP2 2438/4885

“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.