SCHEMBL3552385

SCHEMBL3552385

COc1ccc(S(=O)(=O)Nc2ccc(OCCOc3ccccc3CC(=O)O)cc2)cc1OC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.58
CA9 Q16790 1/20 0.58
NPSR1 Q6W5P4 1/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
MGAT2 Q10469 1/20 0.52
ALDH1A1 P00352 3/20 0.51
LMNA P02545 2/20 0.51
HTT P42858 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
HDAC1 Q13547 3/20 0.49
HDAC4 P56524 2/20 0.49
HDAC3 O15379 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC10 Q969S8 1/20 0.49
HDAC11 Q96DB2 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
HDAC9 Q9UKV0 1/20 0.49

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
SCHEMBL3560273 0.90 CA12 (0.56) CA12CA9NPSR1MEN1KMT2A
SCHEMBL3560475 0.90 HDAC1 (0.55) MEN1KMT2AMGAT2LMNASMN1; SMN2
SCHEMBL3553950 0.88 PGR (0.59) MEN1KMT2AMGAT2ALDH1A1LMNA
SCHEMBL3561344 0.87 PGR (0.56) MEN1KMT2AALDH1A1LMNAHTT
SCHEMBL3563411 0.86 AR (0.54) MEN1KMT2ALMNAHTTSMN1; SMN2
SCHEMBL3553852 0.86 L3MBTL1 (0.67) NPSR1MEN1KMT2AALDH1A1LMNA
SCHEMBL3556110 0.86 CA12 (0.60) CA12CA9NPSR1MEN1KMT2A
SCHEMBL3562939 0.86 AR (0.58) CA12CA9MEN1KMT2AALDH1A1
SCHEMBL3561363 0.85 MAPT (0.50) MEN1KMT2AALDH1A1HDAC1HDAC8
SCHEMBL3552400 0.85 AR (0.60) MEN1KMT2AALDH1A1LMNAHTT

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 1020/4885NPSR1 2156/4885

“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.