SCHEMBL3556824

SCHEMBL3556824

CC(=O)Nc1nc(C)c(S(=O)(=O)Nc2cccc(CCc3cccc(C(=O)O)c3)c2)s1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PFKFB3 Q16875 4/20 0.52
RORA P35398 1/20 0.51
RORC P51449 1/20 0.51
RORB Q92753 1/20 0.51
PIK3CG P48736 5/20 0.51
PIK3CA P42336 2/20 0.47
PFKFB4 Q16877 4/20 0.46
PIK3C2G O75747 1/20 0.42
AKR1C3 P42330 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
ATM Q13315 1/20 0.41
PIK3CD O00329 1/20 0.41
PIK3CB P42338 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 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 0.93 RORA (0.50) PFKFB3RORARORCRORBPIK3CG
SCHEMBL3554539 0.93 RORA (0.55) PFKFB3RORARORCRORBPIK3CG
SCHEMBL3563816 0.89 RORA (0.48) PFKFB3RORARORCRORBPIK3CG
SCHEMBL3566136 0.87 SLC16A3 (0.57) PFKFB3RORARORCRORBPIK3CG
SCHEMBL3552051 0.84 SLC16A3 (0.53) PFKFB3RORARORCRORBPIK3CG
SCHEMBL3556136 0.83 RORA (0.60) PFKFB3RORARORCRORBPIK3CG
SCHEMBL3560012 0.78 RORA (0.55) PFKFB3RORARORCRORBPIK3CG
SCHEMBL3555189 0.77 LMNA (0.61) PFKFB3MEN1ALDH1A1KMT2A
SCHEMBL3561014 0.76 SLC16A3 (0.54) RORARORCRORBPIK3CGPIK3CA
SCHEMBL17599331 0.75 PIK3CG (0.45) PFKFB3RORARORCRORBPIK3CG

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 PFKFB3 1209/4885RORA 1899/4885RORC 2047/4885

“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.