SCHEMBL3559565

SCHEMBL3559565

O=C(O)Cc1ccccc1OCCOc1ccc(NS(=O)(=O)c2c(F)cccc2F)cc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.48
CXCL8 P10145 1/20 0.46
TDP1 Q9NUW8 2/20 0.43
AR P10275 1/20 0.42
GAA P10253 1/20 0.42
MMP2 P08253 2/20 0.41
MMP1 P03956 1/20 0.41
MMP3 P08254 1/20 0.41
MMP9 P14780 1/20 0.41
MMP12 P39900 1/20 0.41
MMP13 P45452 1/20 0.41
MMP14 P50281 1/20 0.41
FAAH O00519 6/20 0.41
FABP1 P07148 1/20 0.40
POLB P06746 1/20 0.39

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
SCHEMBL3554255 0.90 TDP1 (0.47) PKMTDP1ARFAAHFABP1
SCHEMBL3553434 0.86 MEN1 (0.42) PKMTDP1ARGAAMMP2
SCHEMBL3552400 0.86 AR (0.60) PKMTDP1ARMMP2MMP1
SCHEMBL3563411 0.85 AR (0.54) PKMTDP1ARPOLB
SCHEMBL3562887 0.85 PGR (0.57) PKMARPOLB
SCHEMBL3562910 0.83 ALDH1A1 (0.51) TDP1ARGAAPOLB
SCHEMBL3558099 0.82 FABP1 (0.54) PKMTDP1ARMMP2MMP1
SCHEMBL3560208 0.81 AR (0.54) ARMMP2MMP1MMP3MMP9
SCHEMBL3554779 0.81 POLB (0.53) GAAPOLB
SCHEMBL3553481 0.81 AR (0.58) PKMTDP1ARPOLB

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 PKM 990/4885CXCL8 1962/4885TDP1 2267/4885

“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.