SCHEMBL3558559

SCHEMBL3558559

CCCCCCCN(c1ccccc1CCc1ccc(C(=O)O)cc1)S(=O)(=O)c1cccc(C(F)(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.47
PTGES O14684 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
TRPM8 Q7Z2W7 4/20 0.46
HDAC3 O15379 1/20 0.45
HDAC11 Q96DB2 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
PSEN1 P49768 2/20 0.44
PSEN2 P49810 2/20 0.44
APH1B Q8WW43 2/20 0.44
NCSTN Q92542 2/20 0.44
APH1A Q96BI3 2/20 0.44
PSENEN Q9NZ42 2/20 0.44
MAPT P10636 1/20 0.42
TRPV1 Q8NER1 1/20 0.42
PTGER4 P35408 1/20 0.42
PTGER2 P43116 1/20 0.42
PLK1 P53350 1/20 0.41

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
SCHEMBL3559141 0.96 MEN1 (0.48) ALOX5PTGESMEN1KMT2ATRPM8
SCHEMBL3561234 0.90 ALOX5 (0.54) ALOX5PTGESTRPM8
SCHEMBL3557886 0.89 TRPM8 (0.48) ALOX5PTGESTRPM8HDAC8PSEN1
SCHEMBL3563438 0.89 ALOX5 (0.49) ALOX5PTGESMEN1KMT2ATRPM8
SCHEMBL3555271 0.88 ALOX5 (0.59) ALOX5PTGESMEN1KMT2AMAPT
SCHEMBL3568000 0.88 ALOX5 (0.50) ALOX5PTGESMEN1KMT2AMAPT
SCHEMBL3563898 0.87 ALOX5 (0.53) ALOX5PTGESTRPM8
SCHEMBL3557072 0.85 PTGER2 (0.52) ALOX5PTGESPTGER4PTGER2
SCHEMBL3561608 0.85 TAS2R14 (0.48) ALOX5PTGESMEN1KMT2ATRPM8
SCHEMBL3554230 0.84 ALOX5 (0.60) ALOX5PTGESMEN1KMT2AMAPT

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 150/4885MEN1 2548/4885

“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.