SCHEMBL3558658

SCHEMBL3558658

CC(C)S(=O)(=O)Nc1ccc(CCc2ccc(C(=O)O)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRIA4 P48058 1/20 0.48
PTPRB P23467 1/20 0.47
KMT2A Q03164 3/20 0.46
ADRB2 P07550 2/20 0.46
ADRB1 P08588 2/20 0.46
ADRB3 P13945 1/20 0.46
ALDH1A1 P00352 3/20 0.44
HPGD P15428 2/20 0.44
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CA2 P00918 2/20 0.43
CA9 Q16790 2/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
RARB P10826 2/20 0.43
KDM4E B2RXH2 1/20 0.43
HDAC8 Q9BY41 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL6091548 0.91 GRIA4 (0.51) GRIA4KMT2AALDH1A1HPGDMEN1
SCHEMBL3555821 0.86 PARP1 (0.45) GRIA4KMT2A
SCHEMBL3552908 0.86 CA1 (0.46) KMT2AADRB2ADRB1MEN1CA2
SCHEMBL6194986 0.86 GRIA4 (0.58) GRIA4KMT2AALDH1A1MEN1CA2
SCHEMBL3555520 0.83 KDM4E (0.59) PTPRBKMT2AALDH1A1HPGDMEN1
SCHEMBL8867464 0.82 ADRB2 (0.47) GRIA4ADRB2ADRB1ADRB3ALDH1A1
SCHEMBL3555917 0.81 HPGD (0.62) PTPRBKMT2AALDH1A1HPGDLMNA
SCHEMBL3564030 0.81 MAPK1 (0.56) ADRB2ADRB1ADRB3RARBHTT
SCHEMBL3559259 0.81 LMNA (0.48) KMT2AADRB2ADRB1ADRB3ALDH1A1
SCHEMBL3555506 0.81 SLC16A3 (0.60) GRIA4KMT2AALDH1A1HPGDMEN1

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 GRIA4 2847/4885PTPRB 1932/4885KMT2A 4045/4885

“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.