SCHEMBL3558983

SCHEMBL3558983

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

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.42
LPAR1 Q92633 1/20 0.40
LPAR5 Q9H1C0 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
TAS2R14 Q9NYV8 5/20 0.39
PTGES O14684 2/20 0.39
LTB4R2 Q9NPC1 1/20 0.39
SLC16A3 O15427 1/20 0.39
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
KMT2A Q03164 1/20 0.38
KCNA5 P22460 1/20 0.38
RARB P10826 2/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 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
SCHEMBL3558204 0.96 ALOX5 (0.44) ALOX5HTR2AHTR2CTAS2R14PTGES
SCHEMBL3555950 0.91 TAS2R14 (0.46) ALOX5LPAR1LPAR5TAS2R14PTGES
SCHEMBL3554947 0.90 SLC16A3 (0.48) ALOX5LPAR1LPAR5TAS2R14PTGES
SCHEMBL3553576 0.87 ALOX5 (0.47) ALOX5LPAR1LPAR5TAS2R14PTGES
SCHEMBL3554951 0.86 SLC16A3 (0.47) ALOX5TAS2R14PTGESLTB4R2SLC16A3
SCHEMBL3561608 0.86 TAS2R14 (0.48) ALOX5TAS2R14PTGESLTB4R2MEN1
SCHEMBL3555209 0.85 ALOX5 (0.46) ALOX5LPAR1LPAR5TAS2R14PTGES
SCHEMBL3553537 0.84 ALOX5 (0.43) ALOX5TAS2R14PTGESMEN1POLB
SCHEMBL3560865 0.83 ALOX5 (0.57) ALOX5TAS2R14PTGESMEN1KMT2A
SCHEMBL3556562 0.83 ALOX5 (0.57) ALOX5TAS2R14PTGESRARB

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 101/4885LPAR1 1882/4885LPAR5 2590/4885

“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.