SCHEMBL3558356

SCHEMBL3558356

O=C(O)c1ccc(CCc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 1/20 0.63
CES1 P23141 1/20 0.61
CA12 O43570 1/20 0.61
CA1 P00915 1/20 0.61
CA2 P00918 1/20 0.61
CA9 Q16790 1/20 0.61
PRMT1 Q99873 2/20 0.60
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
HDAC3 O15379 1/20 0.57
HDAC4 P56524 1/20 0.57
HDAC1 Q13547 1/20 0.57
HDAC7 Q8WUI4 1/20 0.57
HDAC2 Q92769 1/20 0.57
HDAC10 Q969S8 1/20 0.57
HDAC11 Q96DB2 1/20 0.57
HDAC8 Q9BY41 1/20 0.57
HDAC6 Q9UBN7 1/20 0.57
HDAC9 Q9UKV0 1/20 0.57
HDAC5 Q9UQL6 1/20 0.57

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
SCHEMBL9285136 0.91 WDR5 (0.74) WDR5CES1CA12CA1CA2
SCHEMBL3557363 0.87 PRMT1 (0.59) WDR5CES1PRMT1MEN1KMT2A
SCHEMBL3559499 0.87 MAPT (0.60) WDR5PRMT1MEN1KMT2A
SCHEMBL13028457 0.87 WDR5 (0.68) WDR5CES1CA12CA1CA2
SCHEMBL3563796 0.87 HDAC1 (0.66) CA12CA1CA2CA9MEN1
SCHEMBL3554401 0.86 CA12 (0.61) WDR5CA12CA1CA2CA9
SCHEMBL3554284 0.86 ALDH1A1 (0.67) CA12CA1CA2CA9MEN1
SCHEMBL3556553 0.86 ALDH1A1 (0.73) CA12CA1CA2CA9MEN1
SCHEMBL3560585 0.86 FFAR1 (0.63) CA12CA1CA2CA9MEN1
SCHEMBL3558881 0.85 CA12 (0.57) CA12CA1CA2CA9MEN1

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 1795/4885CES1 51/4885CA12 2189/4885

“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.