SCHEMBL3558204

SCHEMBL3558204

CCCCCCCN(c1ccccc1CCc1ccc(C(=O)O)cc1)S(=O)(=O)c1ccc(F)cc1F

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.44
PTGES O14684 2/20 0.44
RARB P10826 6/20 0.40
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
RARA P10276 1/20 0.39
MAPT P10636 1/20 0.39
MTOR P42345 1/20 0.39
KMT2A Q03164 1/20 0.39
PPARG P37231 3/20 0.39
PPARA Q07869 3/20 0.39
PLK1 P53350 1/20 0.39
PLK3 Q9H4B4 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
PPARD Q03181 1/20 0.38
TAS2R14 Q9NYV8 2/20 0.38
LTB4R2 Q9NPC1 1/20 0.38

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
SCHEMBL3558983 0.96 ALOX5 (0.42) ALOX5PTGESRARBMEN1ALDH1A1
SCHEMBL3553576 0.91 ALOX5 (0.47) ALOX5PTGESRARBMEN1ALDH1A1
SCHEMBL3554951 0.90 SLC16A3 (0.47) ALOX5PTGESRARBMEN1ALDH1A1
SCHEMBL3556562 0.87 ALOX5 (0.57) ALOX5PTGESRARBTAS2R14
SCHEMBL3555950 0.87 TAS2R14 (0.46) ALOX5PTGESRARBMEN1ALDH1A1
SCHEMBL3563438 0.86 ALOX5 (0.49) ALOX5PTGESRARBMEN1ALDH1A1
SCHEMBL3554947 0.86 SLC16A3 (0.48) ALOX5PTGESRARBMEN1KMT2A
SCHEMBL3555107 0.86 ALOX5 (0.48) ALOX5PTGESRARBMEN1ALDH1A1
SCHEMBL3561326 0.85 ALOX5 (0.45) ALOX5PTGESRARBMEN1ALDH1A1
SCHEMBL3555271 0.84 ALOX5 (0.59) ALOX5PTGESRARBMEN1ALDH1A1

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 150/4885RARB 1279/4885

“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.