SCHEMBL3554112

SCHEMBL3554112

CCCCCCC(Nc1ccccc1CCc1ccc(C(=O)O)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 9/20 0.47
PDE4B Q07343 9/20 0.47
PDE4C Q08493 9/20 0.47
PDE4D Q08499 9/20 0.47
SLC16A3 O15427 2/20 0.44
TAS2R14 Q9NYV8 1/20 0.43
MAPT P10636 1/20 0.43
PLK1 P53350 1/20 0.42
S1PR3 Q99500 4/20 0.40
S1PR1 P21453 2/20 0.40

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
SCHEMBL3557951 0.88 SLC16A3 (0.48) SLC16A3MAPTPLK1
SCHEMBL3555276 0.88 SLC16A3 (0.47) SLC16A3MAPTPLK1
SCHEMBL3562120 0.88 MEN1 (0.45) SLC16A3TAS2R14MAPTPLK1
SCHEMBL3553932 0.86 SLC16A3 (0.46) SLC16A3MAPTPLK1
SCHEMBL3552964 0.85 SLC16A3 (0.46) SLC16A3TAS2R14MAPTPLK1
SCHEMBL3556564 0.85 SLC16A3 (0.47) SLC16A3TAS2R14MAPTPLK1
SCHEMBL3563442 0.85 SLC16A3 (0.44) SLC16A3TAS2R14MAPTPLK1
SCHEMBL3553579 0.81 SLC16A3 (0.46) SLC16A3TAS2R14MAPTPLK1
SCHEMBL3561330 0.80 SLC16A3 (0.42) SLC16A3PLK1
SCHEMBL3555111 0.80 PLK1 (0.46) SLC16A3MAPTPLK1

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 PDE4A 1118/4885PDE4B 869/4885PDE4C 1582/4885

“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.