SCHEMBL3553434

SCHEMBL3553434

Cc1c(C)c(C)c(S(=O)(=O)Nc2ccc(OCCOc3ccccc3CC(=O)O)cc2)c(C)c1C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
PKM P14618 1/20 0.41
RECQL P46063 1/20 0.41
AR P10275 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
GAA P10253 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
POLB P06746 2/20 0.40
CACNA1B Q00975 1/20 0.40
TSHR P16473 1/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
FABP4 P15090 1/20 0.40
MMP1 P03956 1/20 0.40
MMP2 P08253 1/20 0.40
MMP3 P08254 1/20 0.40
MMP9 P14780 1/20 0.40

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
SCHEMBL3564064 0.89 TDP1 (0.47) MEN1MAPTKMT2APKMRECQL
SCHEMBL3562910 0.89 ALDH1A1 (0.51) MEN1MAPTKMT2AARL3MBTL1
SCHEMBL3560597 0.88 NMT1 (0.45) MAPTL3MBTL1GAAPOLBTSHR
SCHEMBL3563411 0.86 AR (0.54) MEN1MAPTKMT2APKMRECQL
SCHEMBL3559565 0.86 PKM (0.48) PKMARGAATDP1POLB
SCHEMBL3562939 0.86 AR (0.58) MEN1MAPTKMT2APKMRECQL
SCHEMBL3553437 0.85 MEN1 (0.47) MEN1MAPTKMT2APTGDR2L3MBTL1
SCHEMBL3560310 0.84 ALDH1A1 (0.58) MEN1MAPTKMT2APKMRECQL
SCHEMBL3560208 0.84 AR (0.54) MEN1MAPTKMT2AARL3MBTL1
SCHEMBL3560475 0.84 HDAC1 (0.55) MEN1MAPTKMT2APKMRECQL

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 MEN1 2548/4885MAPT 4130/4885KMT2A 4045/4885

“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.