SCHEMBL3552582

SCHEMBL3552582

CC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2CCCc2ccc(C(=O)O)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 3/20 0.59
BDKRB1 P46663 7/20 0.55
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
ALDH1A1 P00352 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
EGFR P00533 1/20 0.53
HTT P42858 1/20 0.52
GAA P10253 1/20 0.50
GFER P55789 1/20 0.50
HDAC3 O15379 1/20 0.49
HDAC1 Q13547 1/20 0.49
NCOR2 Q9Y618 1/20 0.49
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA9 Q16790 1/20 0.49
LMNA P02545 1/20 0.48

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
SCHEMBL3554705 0.94 SLC16A3 (0.67) SLC16A3BDKRB1MEN1KMT2AALDH1A1
SCHEMBL3559581 0.89 SLC16A3 (0.63) SLC16A3MEN1KMT2AALDH1A1GAA
SCHEMBL3557124 0.89 SLC16A3 (0.66) SLC16A3BDKRB1MEN1KMT2AALDH1A1
SCHEMBL3557081 0.88 SLC16A3 (0.66) SLC16A3ALDH1A1HDAC3HDAC1NCOR2
SCHEMBL3564319 0.87 SLC16A3 (0.63) SLC16A3ALDH1A1HDAC3HDAC1NCOR2
SCHEMBL3561760 0.87 SLC16A3 (0.63) SLC16A3ALDH1A1HDAC3HDAC1NCOR2
SCHEMBL3563493 0.87 SLC16A3 (0.63) SLC16A3MEN1KMT2AALDH1A1GAA
SCHEMBL3554675 0.87 SLC16A3 (0.63) SLC16A3ALDH1A1GFERHDAC3HDAC1
SCHEMBL3560826 0.86 BDKRB1 (0.61) BDKRB1MEN1KMT2AHTTGAA
SCHEMBL3561633 0.86 SLC16A3 (0.64) SLC16A3MEN1KMT2AALDH1A1HTT

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 25/4885MEN1 2548/4885

“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.