SCHEMBL3555904

SCHEMBL3555904

COc1ccc(S(=O)(=O)Nc2ccc(OCCOc3ccc(C(=O)O)cc3)cc2)cc1OC

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 2/20 0.64
HDAC4 P56524 2/20 0.61
HDAC1 Q13547 2/20 0.61
HDAC3 O15379 1/20 0.61
HDAC7 Q8WUI4 1/20 0.61
HDAC2 Q92769 1/20 0.61
HDAC10 Q969S8 1/20 0.61
HDAC11 Q96DB2 1/20 0.61
HDAC8 Q9BY41 1/20 0.61
HDAC6 Q9UBN7 1/20 0.61
HDAC9 Q9UKV0 1/20 0.61
HDAC5 Q9UQL6 1/20 0.61
KMT2A Q03164 3/20 0.60
MEN1 O00255 2/20 0.60
FABP4 P15090 1/20 0.60
CA12 O43570 1/20 0.60
CA9 Q16790 1/20 0.60
LMNA P02545 1/20 0.59
HTT P42858 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59

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
SCHEMBL3559760 0.87 HDAC1 (0.64) WDR5HDAC4HDAC1HDAC3HDAC7
SCHEMBL3556110 0.86 CA12 (0.60) WDR5HDAC4HDAC1HDAC3HDAC7
SCHEMBL3561108 0.86 NPSR1 (0.55) WDR5KMT2AMEN1CA12CA9
SCHEMBL3558972 0.86 WDR5 (0.66) WDR5HDAC4HDAC1HDAC3HDAC7
SCHEMBL3555325 0.84 SMN1; SMN2 (0.69) KMT2AMEN1FABP4LMNAHTT
SCHEMBL3561961 0.84 PGR (0.65) WDR5HDAC4HDAC1HDAC3HDAC7
SCHEMBL3552385 0.82 CA12 (0.58) HDAC4HDAC1HDAC3HDAC7HDAC2
SCHEMBL3562032 0.82 SMN1; SMN2 (0.71) WDR5HDAC1KMT2AMEN1FABP4
SCHEMBL3555882 0.82 GFER (0.79) WDR5HDAC4HDAC1HDAC3HDAC7
SCHEMBL17847423 0.82 ALDH1A1 (0.81) KMT2AMEN1CA12CA9LMNA

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 1795/4885HDAC4 2218/4885HDAC1 1894/4885

“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.