SCHEMBL3551118

SCHEMBL3551118

CCCCN(c1ccccc1CCc1ccc(C(=O)O)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TAS2R14 Q9NYV8 5/20 0.51
ALOX5 P09917 3/20 0.48
PTGER1 P34995 7/20 0.48
SMN1; SMN2 Q16637 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
PDE4A P27815 1/20 0.46
PDE4B Q07343 1/20 0.46
PDE4C Q08493 1/20 0.46
PDE4D Q08499 1/20 0.46
PTGES O14684 2/20 0.45

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
SCHEMBL3554109 0.96 ALOX5 (0.50) TAS2R14ALOX5PTGER1SMN1; SMN2MEN1
SCHEMBL3554237 0.88 TAS2R14 (0.57) TAS2R14ALOX5PTGER1PTGES
SCHEMBL3560770 0.87 PTGER2 (0.51) TAS2R14ALOX5PTGER1SMN1; SMN2
SCHEMBL3564284 0.86 ALOX5 (0.58) TAS2R14ALOX5SMN1; SMN2MEN1KMT2A
SCHEMBL3557378 0.86 ALOX5 (0.58) TAS2R14ALOX5SMN1; SMN2MEN1KMT2A
SCHEMBL3560865 0.86 ALOX5 (0.57) TAS2R14ALOX5SMN1; SMN2MEN1KMT2A
SCHEMBL3552576 0.86 SLC16A3 (0.55) TAS2R14ALOX5PTGES
SCHEMBL3561817 0.86 ALDH1A1 (0.46) TAS2R14PTGER1SMN1; SMN2MEN1KMT2A
SCHEMBL3554627 0.86 ALOX5 (0.57) TAS2R14ALOX5SMN1; SMN2MEN1KMT2A
SCHEMBL5161668 0.85 PTGER1 (0.52) TAS2R14PTGER1MEN1KMT2A

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 101/4885PTGER1 39/4885

“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.