SCHEMBL3557587

SCHEMBL3557587

COc1ccc(S(=O)(=O)Nc2ccccc2CCc2ccc(C(=O)O)cc2)cc1

nearest known ligand 0.73

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 3/20 0.73
NCOR2 Q9Y618 3/20 0.73
HDAC1 Q13547 2/20 0.73
SLC16A3 O15427 6/20 0.71
HDAC2 Q92769 2/20 0.65
TSHR P16473 1/20 0.59
TAS2R14 Q9NYV8 4/20 0.53
KEAP1 Q14145 2/20 0.53
NFE2L2 Q16236 1/20 0.53
PTGES O14684 1/20 0.53
TAS2R8 Q9NYW2 1/20 0.53
CXCR3 P49682 1/20 0.53
ALDH1A1 P00352 1/20 0.52
LMNA P02545 1/20 0.52
TP53 P04637 1/20 0.52
HPGD P15428 1/20 0.52
HTT P42858 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52

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
SCHEMBL3555654 0.94 HDAC3 (0.65) HDAC3NCOR2HDAC1SLC16A3HDAC2
SCHEMBL3553847 0.88 SLC16A3 (0.76) HDAC3NCOR2HDAC1SLC16A3HDAC2
SCHEMBL3561861 0.88 SLC16A3 (0.70) HDAC3NCOR2HDAC1SLC16A3HDAC2
SCHEMBL3561105 0.88 SLC16A3 (0.76) HDAC3NCOR2HDAC1SLC16A3HDAC2
SCHEMBL3564276 0.87 SLC16A3 (0.72) HDAC3NCOR2HDAC1SLC16A3HDAC2
SCHEMBL3555286 0.87 SLC16A3 (0.72) HDAC3NCOR2HDAC1SLC16A3HDAC2
SCHEMBL3554743 0.87 SLC16A3 (0.72) HDAC3NCOR2HDAC1SLC16A3HDAC2
SCHEMBL3556734 0.87 SLC16A3 (0.72) HDAC3NCOR2HDAC1SLC16A3HDAC2
SCHEMBL3555822 0.87 SLC16A3 (0.66) HDAC3NCOR2HDAC1SLC16A3HDAC2
SCHEMBL3558244 0.86 SLC16A3 (0.67) HDAC3NCOR2HDAC1SLC16A3HDAC2

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 HDAC3 3383/4885NCOR2 1141/4885HDAC1 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.