SCHEMBL3558519

SCHEMBL3558519

CCCCCCCN(c1ccccc1CCc1ccc(C(=O)O)cc1)S(=O)(=O)c1ccccc1C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.45
PTGES O14684 2/20 0.45
PLK1 P53350 1/20 0.42
PLK3 Q9H4B4 1/20 0.42
ESR1 P03372 1/20 0.40
RARB P10826 6/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
RARA P10276 1/20 0.40
MAPT P10636 1/20 0.40
MTOR P42345 1/20 0.40
KMT2A Q03164 1/20 0.40
TRPM8 Q7Z2W7 2/20 0.38
EP300 Q09472 1/20 0.38
KAT5 Q92993 1/20 0.38
KAT8 Q9H7Z6 1/20 0.38
SLC16A3 O15427 1/20 0.38
LPAR1 Q92633 1/20 0.37
LPAR5 Q9H1C0 1/20 0.37
RXRA P19793 1/20 0.37

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
SCHEMBL3553576 0.88 ALOX5 (0.47) ALOX5PTGESPLK1PLK3RARB
SCHEMBL3561234 0.85 ALOX5 (0.54) ALOX5PTGESESR1TRPM8
SCHEMBL3555271 0.85 ALOX5 (0.59) ALOX5PTGESRARBMEN1ALDH1A1
SCHEMBL3562326 0.84 SLC16A3 (0.53) ALOX5PTGESRARBMEN1ALDH1A1
SCHEMBL3555950 0.84 TAS2R14 (0.46) ALOX5PTGESRARBMEN1ALDH1A1
SCHEMBL3562738 0.84 ALOX5 (0.45) ALOX5PTGESRARBMEN1ALDH1A1
SCHEMBL3558559 0.83 ALOX5 (0.47) ALOX5PTGESPLK1MEN1MAPT
SCHEMBL3555107 0.83 ALOX5 (0.48) ALOX5PTGESPLK1PLK3RARB
SCHEMBL3558204 0.83 ALOX5 (0.44) ALOX5PTGESPLK1PLK3RARB
SCHEMBL3559272 0.83 RXRA (0.43) ALOX5PTGESMEN1ALDH1A1KMT2A

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 150/4885PLK1 4876/4885

“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.