SCHEMBL3558099

SCHEMBL3558099

O=C(O)Cc1ccccc1OCCOc1ccc(NS(=O)(=O)c2ccc(-c3ccccc3)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP1 P07148 1/20 0.54
MMP2 P08253 2/20 0.52
MMP1 P03956 1/20 0.52
MMP3 P08254 1/20 0.52
MMP9 P14780 1/20 0.52
MMP12 P39900 1/20 0.52
MMP13 P45452 1/20 0.52
MMP14 P50281 1/20 0.52
ALOX12 P18054 2/20 0.51
UQCRB P14927 2/20 0.50
MEN1 O00255 1/20 0.50
MAPT P10636 1/20 0.50
KMT2A Q03164 1/20 0.50
POLB P06746 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
AR P10275 2/20 0.48
PKM P14618 1/20 0.48
RECQL P46063 1/20 0.48
CACNA1B Q00975 1/20 0.47
LMNA P02545 1/20 0.47

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
SCHEMBL3563411 0.93 AR (0.54) MEN1MAPTKMT2APOLBTDP1
SCHEMBL3552400 0.91 AR (0.60) MMP2MMP1MMP3MMP9MMP12
SCHEMBL3560475 0.90 HDAC1 (0.55) MMP2MMP1MMP3MMP9MMP12
SCHEMBL3553481 0.90 AR (0.58) MEN1MAPTKMT2APOLBTDP1
SCHEMBL3556914 0.90 WDR5 (0.52) MEN1MAPTKMT2APOLBTDP1
SCHEMBL3562939 0.90 AR (0.58) MEN1MAPTKMT2APOLBTDP1
SCHEMBL3553334 0.89 TDP1 (0.58) FABP1MMP2MMP1MMP3MMP9
SCHEMBL3555874 0.89 CA12 (0.56) MEN1MAPTKMT2APOLBTDP1
SCHEMBL3553482 0.89 LMNA (0.64) MEN1MAPTKMT2ATDP1LMNA
SCHEMBL3553720 0.89 MEN1 (0.53) MEN1MAPTKMT2APOLBTDP1

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 FABP1 521/4885MMP2 1720/4885MMP1 1419/4885

“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.