SCHEMBL3554501

SCHEMBL3554501

CN(C)c1cccc2c(S(=O)(=O)Nc3ccccc3CCCCCc3ccccc3C(=O)O)cccc12

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 1/20 0.52
MCL1 Q07820 1/20 0.52
SLC16A3 O15427 8/20 0.52
EDNRA P25101 5/20 0.51
HDAC4 P56524 1/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
HDAC5 Q9UQL6 1/20 0.48
KDM4E B2RXH2 1/20 0.48
NSD2 O96028 1/20 0.48
TSHR P16473 1/20 0.48
HSD17B10 Q99714 1/20 0.48
FABP4 P15090 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
SCHEMBL3560435 0.98 BCL2 (0.52) BCL2MCL1SLC16A3EDNRAHDAC4
SCHEMBL3562929 0.97 SLC16A3 (0.55) BCL2MCL1SLC16A3EDNRAKDM4E
SCHEMBL3553446 0.86 SLC16A3 (0.68) MCL1SLC16A3TSHR
SCHEMBL3558893 0.85 SLC16A3 (0.68) BCL2MCL1SLC16A3EDNRAKDM4E
SCHEMBL3560453 0.85 SLC16A3 (0.67) BCL2MCL1SLC16A3EDNRAHDAC4
SCHEMBL3561717 0.84 SLC16A3 (0.75) BCL2MCL1SLC16A3EDNRAKDM4E
SCHEMBL3558188 0.84 SLC16A3 (0.74) BCL2MCL1SLC16A3EDNRAKDM4E
SCHEMBL3552944 0.83 SLC16A3 (0.56) SLC16A3HSD17B10
SCHEMBL3558973 0.82 SLC16A3 (0.69) MCL1SLC16A3KDM4ETSHR
SCHEMBL3561833 0.81 SLC16A3 (0.74) MCL1SLC16A3KDM4ETSHRFABP4

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 8 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-7816397-B2 Phenylcarboxylic acid derivatives and use thereof for the treatment of diabetes MERCK PATENT GMBH (DE) 2010-10-19 US disclosed
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
US-20080045483-A1 Phenylcarboxylic Acid Derivatives and Use Thereof for the Treatment of Diabetes MERCK PATENT GMBH (DE) 2008-02-21 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 BCL2 1996/4885MCL1 4304/4885SLC16A3 425/4885

“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.