SCHEMBL3553537

SCHEMBL3553537

CCCCN(c1ccccc1CCc1ccc(C(=O)O)cc1)S(=O)(=O)c1ccc(C)cc1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 4/20 0.43
NSD2 O96028 1/20 0.41
ESR1 P03372 1/20 0.41
POLB P06746 1/20 0.41
APEX1 P27695 1/20 0.41
RECQL P46063 1/20 0.41
ESR2 Q92731 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PTGES O14684 3/20 0.40
PPARG P37231 1/20 0.39
PPARD Q03181 1/20 0.39
PPARA Q07869 1/20 0.39
TAS2R14 Q9NYV8 3/20 0.39
LMNA P02545 2/20 0.39
PTGER1 P34995 1/20 0.38
RARB P10826 2/20 0.38
PSEN1 P49768 1/20 0.37
PSEN2 P49810 1/20 0.37
APH1B Q8WW43 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
SCHEMBL3561326 0.96 ALOX5 (0.45) ALOX5NSD2ESR1POLBAPEX1
SCHEMBL3561142 0.89 ALOX5 (0.44) ALOX5L3MBTL1PTGESTAS2R14LMNA
SCHEMBL3558490 0.86 ALOX5 (0.56) ALOX5ESR1L3MBTL1PTGESTAS2R14
SCHEMBL3560759 0.86 ALOX5 (0.48) ALOX5L3MBTL1PTGESTAS2R14LMNA
SCHEMBL3554947 0.85 SLC16A3 (0.48) ALOX5NSD2ESR1POLBAPEX1
SCHEMBL3558983 0.84 ALOX5 (0.42) ALOX5POLBPTGESTAS2R14LMNA
SCHEMBL3560865 0.84 ALOX5 (0.57) ALOX5ESR1TDP1L3MBTL1PTGES
SCHEMBL3555950 0.83 TAS2R14 (0.46) ALOX5PTGESTAS2R14LMNARARB
SCHEMBL3551722 0.83 ALOX5 (0.47) ALOX5L3MBTL1PTGESTAS2R14LMNA
SCHEMBL3555251 0.83 ALOX5 (0.58) ALOX5PTGESTAS2R14LMNAPTGER1

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 101/4885NSD2 4017/4885ESR1 1966/4885

“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.