SCHEMBL3556914

SCHEMBL3556914

O=C(O)Cc1ccccc1OCCOc1ccc(NS(=O)(=O)c2ccc(C(=O)O)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 1/20 0.52
GFER P55789 1/20 0.51
LIMK2 P53671 1/20 0.49
FABP4 P15090 1/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
MAPT P10636 2/20 0.49
TDP1 Q9NUW8 2/20 0.48
POLB P06746 2/20 0.48
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA9 Q16790 1/20 0.48
PKM P14618 2/20 0.48
AR P10275 2/20 0.47
RECQL P46063 1/20 0.47
CACNA1B Q00975 1/20 0.47
LMNA P02545 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HTT P42858 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
SCHEMBL3563411 0.92 AR (0.54) LIMK2MEN1KMT2AMAPTTDP1
SCHEMBL3555874 0.92 CA12 (0.56) LIMK2MEN1KMT2AMAPTTDP1
SCHEMBL5162128 0.91 MEN1 (0.55) WDR5GFERLIMK2FABP4MEN1
SCHEMBL3558099 0.90 FABP1 (0.54) MEN1KMT2AMAPTTDP1POLB
SCHEMBL3552400 0.90 AR (0.60) MEN1KMT2AMAPTTDP1POLB
SCHEMBL3560475 0.89 HDAC1 (0.55) LIMK2MEN1KMT2AMAPTPKM
SCHEMBL3562939 0.89 AR (0.58) GFERMEN1KMT2AMAPTTDP1
SCHEMBL3553481 0.89 AR (0.58) MEN1KMT2AMAPTTDP1POLB
SCHEMBL3553482 0.88 LMNA (0.64) GFERMEN1KMT2AMAPTTDP1
SCHEMBL3553720 0.88 MEN1 (0.53) LIMK2MEN1KMT2AMAPTTDP1

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 1795/4885GFER 343/4885LIMK2 3634/4885

“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.