SCHEMBL3561608

SCHEMBL3561608

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

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TAS2R14 Q9NYV8 6/20 0.48
ALOX5 P09917 3/20 0.48
PTGES O14684 2/20 0.44
LTB4R2 Q9NPC1 1/20 0.43
LMNA P02545 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
TRPM8 Q7Z2W7 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 1/20 0.40
PTGER4 P35408 1/20 0.40
PTGER2 P43116 1/20 0.40
HCRTR2 O43614 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL3563438 0.96 ALOX5 (0.49) TAS2R14ALOX5PTGESLTB4R2LMNA
SCHEMBL3560865 0.90 ALOX5 (0.57) TAS2R14ALOX5PTGESLMNAMEN1
SCHEMBL3560759 0.90 ALOX5 (0.48) TAS2R14ALOX5PTGESLMNAMEN1
SCHEMBL3559141 0.88 MEN1 (0.48) ALOX5PTGESLMNAMEN1KMT2A
SCHEMBL3560770 0.87 PTGER2 (0.51) TAS2R14ALOX5L3MBTL1SMN1; SMN2KEAP1
SCHEMBL3555209 0.86 ALOX5 (0.46) TAS2R14ALOX5PTGESLMNAMEN1
SCHEMBL3564284 0.86 ALOX5 (0.58) TAS2R14ALOX5PTGESLMNAMEN1
SCHEMBL3557378 0.86 ALOX5 (0.58) TAS2R14ALOX5PTGESLMNAMEN1
SCHEMBL3555271 0.86 ALOX5 (0.59) TAS2R14ALOX5PTGESLMNAMEN1
SCHEMBL3558983 0.86 ALOX5 (0.42) TAS2R14ALOX5PTGESLTB4R2LMNA

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 TAS2R14 3203/4885ALOX5 101/4885PTGES 150/4885

“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.