SCHEMBL3554579

SCHEMBL3554579

COc1ccc(OC)c(S(=O)(=O)Nc2ccc(CCc3cccc(C(=O)O)c3)cc2)c1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.67
SMN1; SMN2 Q16637 4/20 0.60
MEN1 O00255 3/20 0.59
KMT2A Q03164 3/20 0.59
LMNA P02545 2/20 0.59
ALOX12 P18054 1/20 0.59
GAA P10253 1/20 0.58
USP2 O75604 1/20 0.57
ALDH1A1 P00352 3/20 0.55
SLC16A3 O15427 1/20 0.55
TNF P01375 1/20 0.54
NOD2 Q9HC29 1/20 0.54
NOD1 Q9Y239 1/20 0.54
NPSR1 Q6W5P4 1/20 0.52

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
SCHEMBL3556776 0.93 LMNA (0.64) L3MBTL1SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL3559723 0.91 L3MBTL1 (0.73) L3MBTL1SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL3558720 0.90 L3MBTL1 (0.61) L3MBTL1SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL3558727 0.85 SLC16A3 (0.76) SMN1; SMN2MEN1KMT2AGAAALDH1A1
SCHEMBL3561254 0.85 ALDH1A1 (0.71) SMN1; SMN2MEN1KMT2AGAAALDH1A1
SCHEMBL3557523 0.85 L3MBTL1 (0.66) L3MBTL1SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL3559667 0.84 AKR1C3 (0.65) SMN1; SMN2MEN1KMT2ALMNAGAA
SCHEMBL3563323 0.83 HTT (0.62) SMN1; SMN2MEN1KMT2ALMNAALDH1A1
SCHEMBL3560246 0.82 SLC16A3 (0.69) L3MBTL1SMN1; SMN2MEN1KMT2AGAA
SCHEMBL3556994 0.81 MEN1 (0.61) L3MBTL1SMN1; SMN2MEN1KMT2ALMNA

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 L3MBTL1 2080/4885SMN1; SMN2 4522/4885MEN1 2548/4885

“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.