SCHEMBL3554482

SCHEMBL3554482

CCCCN(c1ccccc1CCc1ccc(C(=O)O)cc1)S(=O)(=O)c1c(C)cc(OC)c(C)c1C

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TAS2R14 Q9NYV8 7/20 0.41
ALOX5 P09917 1/20 0.40
SLC16A3 O15427 1/20 0.39
PTGER1 P34995 2/20 0.39
AVPR1B P47901 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL3554262 0.97 PTGES (0.42) TAS2R14ALOX5SLC16A3PTGER1AVPR1B
SCHEMBL3551722 0.87 ALOX5 (0.47) TAS2R14ALOX5MEN1ALDH1A1KMT2A
SCHEMBL3561142 0.86 ALOX5 (0.44) TAS2R14ALOX5SLC16A3MEN1ALDH1A1
SCHEMBL5191039 0.85 TAS2R14 (0.38) TAS2R14ALOX5PTGER1MEN1ALDH1A1
SCHEMBL3551118 0.83 TAS2R14 (0.51) TAS2R14ALOX5PTGER1MEN1KMT2A
SCHEMBL3561817 0.82 ALDH1A1 (0.46) TAS2R14PTGER1MEN1ALDH1A1KMT2A
SCHEMBL3555209 0.81 ALOX5 (0.46) TAS2R14ALOX5MEN1ALDH1A1KMT2A
SCHEMBL3560865 0.80 ALOX5 (0.57) TAS2R14ALOX5MEN1ALDH1A1KMT2A
SCHEMBL3554237 0.80 TAS2R14 (0.57) TAS2R14ALOX5PTGER1L3MBTL1
SCHEMBL3554109 0.80 ALOX5 (0.50) TAS2R14ALOX5PTGER1MEN1KMT2A

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 101/4885SLC16A3 425/4885

“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.