SCHEMBL3556136

SCHEMBL3556136

CC(=O)Nc1nc(C)c(S(=O)(=O)Nc2ccc(CCc3ccc(C(=O)O)cc3)cc2)s1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORA P35398 1/20 0.60
RORC P51449 1/20 0.60
RORB Q92753 1/20 0.60
PIK3CG P48736 5/20 0.44
PIK3CD O00329 4/20 0.44
PIK3C3 Q8NEB9 2/20 0.44
CSNK2A2 P19784 1/20 0.44
CSNK2A1 P68400 1/20 0.44
ALDH1A1 P00352 2/20 0.43
TSHR P16473 1/20 0.43
PFKFB3 Q16875 1/20 0.42
PIK3CA P42336 2/20 0.42
PIK3CB P42338 2/20 0.42
P2RX3 P56373 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
MEN1 O00255 3/20 0.40

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
SCHEMBL3556697 0.90 RORA (0.50) RORARORCRORBPIK3CGPIK3CD
SCHEMBL3554539 0.90 RORA (0.55) RORARORCRORBPIK3CGPIK3CD
SCHEMBL3560012 0.86 RORA (0.55) RORARORCRORBPIK3CGPIK3CD
SCHEMBL3561014 0.86 SLC16A3 (0.54) RORARORCRORBPIK3CGPIK3CD
SCHEMBL3556824 0.83 PFKFB3 (0.52) RORARORCRORBPIK3CGPIK3CD
SCHEMBL3558193 0.83 SLC16A3 (0.50) RORARORCRORBPIK3CGPIK3CD
SCHEMBL2959779 0.81 RORA (0.69) RORARORCRORBPIK3CGPIK3CD
SCHEMBL5330056 0.78 ALDH1A1 (0.53) RORARORCRORBALDH1A1TSHR
SCHEMBL3563816 0.76 RORA (0.48) RORARORCRORBPIK3CGPIK3CD
SCHEMBL3566136 0.76 SLC16A3 (0.57) RORARORCRORBPIK3CGPIK3CD

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 RORA 1899/4885RORC 2047/4885RORB 1769/4885

“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.