SCHEMBL3555950

SCHEMBL3555950

CCCCN(c1ccccc1CCc1ccc(C(=O)O)cc1)S(=O)(=O)c1ccccc1F

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TAS2R14 Q9NYV8 3/20 0.46
ALOX5 P09917 3/20 0.45
LPAR1 Q92633 3/20 0.45
LPAR5 Q9H1C0 3/20 0.45
KCNA5 P22460 1/20 0.42
PTGES O14684 2/20 0.41
SLC16A3 O15427 1/20 0.40
RARB P10826 2/20 0.40
LMNA P02545 2/20 0.39
ALDH1A1 P00352 1/20 0.39
LTB4R2 Q9NPC1 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 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
SCHEMBL3553576 0.96 ALOX5 (0.47) TAS2R14ALOX5LPAR1LPAR5KCNA5
SCHEMBL3555209 0.91 ALOX5 (0.46) TAS2R14ALOX5LPAR1LPAR5PTGES
SCHEMBL3558983 0.91 ALOX5 (0.42) TAS2R14ALOX5LPAR1LPAR5KCNA5
SCHEMBL3555107 0.87 ALOX5 (0.48) TAS2R14ALOX5LPAR1LPAR5PTGES
SCHEMBL3558204 0.87 ALOX5 (0.44) TAS2R14ALOX5PTGESRARBALDH1A1
SCHEMBL3563720 0.87 ALOX5 (0.45) ALOX5PTGESSLC16A3LMNAALDH1A1
SCHEMBL3560865 0.86 ALOX5 (0.57) TAS2R14ALOX5PTGESRARBLMNA
SCHEMBL3554681 0.86 SLC16A3 (0.55) ALOX5PTGESSLC16A3RARBLMNA
SCHEMBL3554947 0.86 SLC16A3 (0.48) TAS2R14ALOX5LPAR1LPAR5PTGES
SCHEMBL3563471 0.85 TAS2R14 (0.44) TAS2R14ALOX5PTGESSLC16A3RARB

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 101/4885LPAR1 1882/4885

“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.