SCHEMBL3558694

SCHEMBL3558694

CCCCCCCN(c1ccccc1CCc1ccc(C(=O)O)cc1)S(=O)(=O)c1sc(NC(C)=O)nc1C

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.40
PTGES O14684 2/20 0.40
DPP4 P27487 1/20 0.36
DPP8 Q6V1X1 1/20 0.36
DPP9 Q86TI2 1/20 0.36
DPP7 Q9UHL4 1/20 0.36
RARB P10826 5/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
RARA P10276 1/20 0.35
MAPT P10636 1/20 0.35
MTOR P42345 1/20 0.35
KMT2A Q03164 1/20 0.35
BCL2 P10415 1/20 0.35
BCL2L1 Q07817 1/20 0.35
PLK1 P53350 3/20 0.34
PLK3 Q9H4B4 3/20 0.34
GRM4 Q14833 2/20 0.34
TRPV1 Q8NER1 1/20 0.34

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
SCHEMBL3553921 0.97 ALOX5 (0.38) ALOX5PTGESDPP4DPP8DPP9
SCHEMBL5188414 0.82 SLC16A3 (0.38) ALOX5PTGESDPP4DPP8DPP9
SCHEMBL3555271 0.79 ALOX5 (0.59) ALOX5PTGESRARBMEN1ALDH1A1
SCHEMBL3558698 0.79 SLC16A3 (0.39) RARBMEN1ALDH1A1RARAMAPT
SCHEMBL3555251 0.78 ALOX5 (0.58) ALOX5PTGESRARBMEN1KMT2A
SCHEMBL3553929 0.78 ALOX5 (0.58) ALOX5PTGESRARBMEN1ALDH1A1
SCHEMBL3554230 0.77 ALOX5 (0.60) ALOX5PTGESRARBMEN1ALDH1A1
SCHEMBL3557949 0.77 ALOX5 (0.60) ALOX5PTGESRARBMEN1ALDH1A1
SCHEMBL3560799 0.77 ALOX5 (0.52) ALOX5PTGESMEN1ALDH1A1MAPT
SCHEMBL3561014 0.76 SLC16A3 (0.54) BCL2BCL2L1GRM4

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 ALOX5 101/4885PTGES 150/4885DPP4 59/4885

“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.