SCHEMBL3555874

SCHEMBL3555874

CC(=O)c1ccc(S(=O)(=O)Nc2ccc(OCCOc3ccccc3CC(=O)O)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.56
CA9 Q16790 1/20 0.56
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
GAA P10253 2/20 0.53
LMNA P02545 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
MAPT P10636 3/20 0.50
ALDH1A1 P00352 3/20 0.50
LIMK2 P53671 1/20 0.50
HPGD P15428 2/20 0.49
PKM P14618 1/20 0.48
RECQL P46063 1/20 0.48
CACNA1B Q00975 1/20 0.47
POLB P06746 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
HTT P42858 1/20 0.47
SQSTM1 Q13501 1/20 0.46
KEAP1 Q14145 1/20 0.46
NFE2L2 Q16236 1/20 0.46

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
SCHEMBL3556914 0.92 WDR5 (0.52) CA12CA9MEN1KMT2ALMNA
SCHEMBL3563411 0.90 AR (0.54) MEN1KMT2ALMNASMN1; SMN2MAPT
SCHEMBL3563740 0.90 TDP1 (0.55) CA12CA9MEN1KMT2AGAA
SCHEMBL3553482 0.90 LMNA (0.64) MEN1KMT2AGAALMNASMN1; SMN2
SCHEMBL3560475 0.90 HDAC1 (0.55) MEN1KMT2AGAALMNASMN1; SMN2
SCHEMBL3562939 0.90 AR (0.58) CA12CA9MEN1KMT2AGAA
SCHEMBL3558099 0.89 FABP1 (0.54) MEN1KMT2ALMNASMN1; SMN2MAPT
SCHEMBL3552400 0.89 AR (0.60) MEN1KMT2ALMNASMN1; SMN2MAPT
SCHEMBL3553720 0.88 MEN1 (0.53) MEN1KMT2ALMNASMN1; SMN2MAPT
SCHEMBL3553481 0.88 AR (0.58) MEN1KMT2ALMNASMN1; SMN2MAPT

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 CA12 2189/4885CA9 1020/4885MEN1 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.