SCHEMBL3554262

SCHEMBL3554262

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

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGES O14684 2/20 0.42
ALOX5 P09917 2/20 0.42
TAS2R14 Q9NYV8 7/20 0.40
SLC16A3 O15427 1/20 0.38
PTGER1 P34995 2/20 0.38
AVPR1B P47901 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL3554482 0.97 TAS2R14 (0.41) ALOX5TAS2R14SLC16A3PTGER1AVPR1B
SCHEMBL3551722 0.84 ALOX5 (0.47) PTGESALOX5TAS2R14MEN1ALDH1A1
SCHEMBL3554109 0.84 ALOX5 (0.50) PTGESALOX5TAS2R14PTGER1MEN1
SCHEMBL3561142 0.83 ALOX5 (0.44) PTGESALOX5TAS2R14SLC16A3MEN1
SCHEMBL3562118 0.82 ALDH1A1 (0.44) PTGESALOX5TAS2R14PTGER1MEN1
SCHEMBL5191039 0.82 TAS2R14 (0.38) ALOX5TAS2R14PTGER1MEN1ALDH1A1
SCHEMBL3555107 0.81 ALOX5 (0.48) PTGESALOX5TAS2R14MEN1ALDH1A1
SCHEMBL3555271 0.81 ALOX5 (0.59) PTGESALOX5TAS2R14MEN1ALDH1A1
SCHEMBL3557072 0.80 PTGER2 (0.52) PTGESALOX5TAS2R14SMN1; SMN2
SCHEMBL3551118 0.80 TAS2R14 (0.51) PTGESALOX5TAS2R14PTGER1MEN1

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

“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.