SCHEMBL3554401

SCHEMBL3554401

CCCc1ccc(S(=O)(=O)Nc2ccc(CCc3ccc(C(=O)O)cc3)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.61
CA9 Q16790 2/20 0.61
CA1 P00915 1/20 0.61
CA2 P00918 1/20 0.61
ALDH1A1 P00352 3/20 0.58
GFER P55789 2/20 0.56
FFAR4 Q5NUL3 2/20 0.56
FFAR1 O14842 1/20 0.56
WDR5 P61964 1/20 0.54
FABP4 P15090 1/20 0.54
GAA P10253 1/20 0.53
MEN1 O00255 1/20 0.53
LMNA P02545 1/20 0.53
HPGD P15428 1/20 0.53
KMT2A Q03164 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
MAPT P10636 1/20 0.53
ATM Q13315 1/20 0.53
UCHL1 P09936 1/20 0.52
HDAC4 P56524 1/20 0.51

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
SCHEMBL31681289 0.99 CA12 (0.62) CA12CA9CA1CA2ALDH1A1
SCHEMBL3558350 0.92 FFAR1 (0.67) CA12CA9CA1CA2ALDH1A1
SCHEMBL3554081 0.89 LMNA (0.59) CA12CA9CA1CA2ALDH1A1
SCHEMBL3554284 0.89 ALDH1A1 (0.67) CA12CA9CA1CA2ALDH1A1
SCHEMBL3556553 0.89 ALDH1A1 (0.73) CA12CA9CA1CA2ALDH1A1
SCHEMBL3555334 0.87 KAT6A (0.56) CA1CA2ALDH1A1FFAR4FFAR1
SCHEMBL3563796 0.87 HDAC1 (0.66) CA12CA9CA1CA2ALDH1A1
SCHEMBL3558523 0.86 CA1 (0.65) CA12CA9CA1CA2ALDH1A1
SCHEMBL3554413 0.86 SMN1; SMN2 (0.65) CA12CA9CA1CA2GFER
SCHEMBL3560585 0.86 FFAR1 (0.63) CA12CA9CA1CA2ALDH1A1

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 CA12 2189/4885CA9 1020/4885CA1 1700/4885

“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.