SCHEMBL3553852

SCHEMBL3553852

COc1ccc(OC)c(S(=O)(=O)Nc2ccc(OCCOc3ccccc3CC(=O)O)cc2)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.67
SMN1; SMN2 Q16637 5/20 0.60
LMNA P02545 4/20 0.60
MEN1 O00255 3/20 0.60
KMT2A Q03164 3/20 0.60
ALOX12 P18054 1/20 0.60
TNF P01375 1/20 0.55
NOD2 Q9HC29 1/20 0.55
NOD1 Q9Y239 1/20 0.55
POLB P06746 2/20 0.53
GAA P10253 2/20 0.53
TSHR P16473 1/20 0.53
MAPT P10636 3/20 0.52
ALPL P05186 2/20 0.52
NPSR1 Q6W5P4 2/20 0.50
ALDH1A1 P00352 2/20 0.50
FABP4 P15090 1/20 0.50
HTT P42858 2/20 0.49
KDM4E B2RXH2 1/20 0.48
TP53 P04637 1/20 0.48

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
SCHEMBL3554890 0.90 L3MBTL1 (0.59) L3MBTL1SMN1; SMN2LMNAMEN1KMT2A
SCHEMBL3553950 0.86 PGR (0.59) L3MBTL1SMN1; SMN2LMNAMEN1KMT2A
SCHEMBL3552385 0.86 CA12 (0.58) L3MBTL1SMN1; SMN2LMNAMEN1KMT2A
SCHEMBL3553617 0.86 MEN1 (0.65) L3MBTL1SMN1; SMN2LMNAMEN1KMT2A
SCHEMBL3560475 0.86 HDAC1 (0.55) SMN1; SMN2LMNAMEN1KMT2AALOX12
SCHEMBL3563703 0.83 MEN1 (0.55) L3MBTL1MEN1KMT2ATNFNOD2
SCHEMBL3561580 0.82 POLB (0.46) L3MBTL1SMN1; SMN2LMNAKMT2APOLB
SCHEMBL3555325 0.82 SMN1; SMN2 (0.69) L3MBTL1SMN1; SMN2LMNAMEN1KMT2A
SCHEMBL3563411 0.82 AR (0.54) SMN1; SMN2LMNAMEN1KMT2APOLB
SCHEMBL3562910 0.82 ALDH1A1 (0.51) L3MBTL1SMN1; SMN2LMNAMEN1KMT2A

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 8 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
EP-1761486-A1 PHENYLCARBOXYLIC ACID DERIVATIVES AND USE THEREOF FOR THE TREATMENT OF DIABETES Merck Patent GmbH (DE) 2007-03-14 EP claimed
WO-2006000288-A1 PHENYLCARBOXYLIC ACID DERIVATIVES AND USE THEREOF FOR THE TREATMENT OF DIABETES MERCK PATENT GMBH (DE) 2006-01-05 WO 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
EP-1761486-A1 PHENYLCARBOXYLIC ACID DERIVATIVES AND USE THEREOF FOR THE TREATMENT OF DIABETES Merck Patent GmbH (DE) 2007-03-14 EP disclosed
WO-2006000288-A1 PHENYLCARBOXYLIC ACID DERIVATIVES AND USE THEREOF FOR THE TREATMENT OF DIABETES MERCK PATENT GMBH (DE) 2006-01-05 WO 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 4522/4885LMNA 2120/4885

“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.