SCHEMBL3560802

SCHEMBL3560802

CC(=O)Nc1ccc(S(=O)(=O)CCCCNc2ccccc2CCc2ccc(C(=O)O)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 2/20 0.48
ALDH1A1 P00352 5/20 0.47
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
KDM4E B2RXH2 2/20 0.45
LMNA P02545 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HDAC1 Q13547 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
CA2 P00918 4/20 0.42
CA9 Q16790 3/20 0.42
RORC P51449 2/20 0.42
CA12 O43570 2/20 0.42
MAPT P10636 3/20 0.42
POLB P06746 2/20 0.42
GAA P10253 1/20 0.42
CA1 P00915 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41

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
SCHEMBL3561599 0.91 SLC16A3 (0.50) SLC16A3ALDH1A1LMNAHDAC1HDAC8
SCHEMBL3553935 0.90 SLC16A3 (0.49) SLC16A3HDAC1HDAC8
SCHEMBL3560868 0.90 HDAC1 (0.53) SLC16A3ALDH1A1KDM4EHDAC1HDAC8
SCHEMBL3555272 0.89 HDAC1 (0.52) SLC16A3ALDH1A1HDAC1HDAC8CA2
SCHEMBL3557956 0.88 SLC16A3 (0.49) SLC16A3ALDH1A1KMT2AMEN1HDAC1
SCHEMBL3556567 0.86 SLC16A3 (0.51) SLC16A3HDAC1HDAC8
SCHEMBL3552967 0.86 SLC16A3 (0.49) SLC16A3ALDH1A1KMT2AMEN1LMNA
SCHEMBL3557112 0.84 SLC16A3 (0.48) SLC16A3KMT2AMEN1SMN1; SMN2HDAC1
SCHEMBL3554705 0.82 SLC16A3 (0.67) SLC16A3ALDH1A1KMT2AMEN1NPSR1
SCHEMBL3554116 0.81 SLC16A3 (0.47) SLC16A3ALDH1A1SMN1; SMN2MAPT

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 425/4885ALDH1A1 61/4885KMT2A 4045/4885

“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.