SCHEMBL3554705

SCHEMBL3554705

CC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2CCc2ccc(C(=O)O)cc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 4/20 0.67
BDKRB1 P46663 5/20 0.57
HDAC3 O15379 2/20 0.56
NCOR2 Q9Y618 2/20 0.56
HDAC1 Q13547 1/20 0.56
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
ALDH1A1 P00352 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
EGFR P00533 1/20 0.54
HTT P42858 1/20 0.54
GAA P10253 1/20 0.52
GFER P55789 1/20 0.52
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA9 Q16790 1/20 0.51
HDAC2 Q92769 1/20 0.50
KDM4E B2RXH2 1/20 0.50
LMNA P02545 1/20 0.50

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
SCHEMBL3552582 0.94 SLC16A3 (0.59) SLC16A3BDKRB1HDAC3NCOR2HDAC1
SCHEMBL3554743 0.89 SLC16A3 (0.72) SLC16A3HDAC3NCOR2HDAC1MEN1
SCHEMBL3558184 0.89 SLC16A3 (0.74) SLC16A3BDKRB1MEN1KMT2AALDH1A1
SCHEMBL3553847 0.87 SLC16A3 (0.76) SLC16A3HDAC3NCOR2HDAC1ALDH1A1
SCHEMBL3555286 0.86 SLC16A3 (0.72) SLC16A3HDAC3NCOR2HDAC1ALDH1A1
SCHEMBL3556734 0.86 SLC16A3 (0.72) SLC16A3HDAC3NCOR2HDAC1MEN1
SCHEMBL3564276 0.86 SLC16A3 (0.72) SLC16A3HDAC3NCOR2HDAC1ALDH1A1
SCHEMBL3558523 0.86 CA1 (0.65) MEN1KMT2AALDH1A1NPSR1EGFR
SCHEMBL3555048 0.85 BDKRB1 (0.64) BDKRB1MEN1KMT2AHTTGAA
SCHEMBL3559576 0.84 SLC16A3 (0.69) SLC16A3HDAC3NCOR2HDAC1ALDH1A1

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 SLC16A3 425/4885BDKRB1 25/4885HDAC3 3383/4885

“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.