SCHEMBL3556997

SCHEMBL3556997

O=C(O)Cc1ccccc1OCCOc1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.61
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
GPR55 Q9Y2T6 1/20 0.52
MAPK1 P28482 1/20 0.52
ACLY P53396 1/20 0.48
ALDH1A1 P00352 4/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
LMNA P02545 3/20 0.47
HTT P42858 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
CHRM1 P11229 1/20 0.47
FABP5 Q01469 1/20 0.46
HPGD P15428 1/20 0.46
HSD17B10 Q99714 1/20 0.46
HSP90AA1 P07900 1/20 0.45
HSP90AB1 P08238 1/20 0.45
ALPL P05186 1/20 0.45
PTGDR2 Q9Y5Y4 1/20 0.44
ITGA1 P56199 1/20 0.44

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
SCHEMBL3562211 0.86 AR (0.64) ARMEN1KMT2AGPR55MAPK1
SCHEMBL3553481 0.86 AR (0.58) ARMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL3563411 0.82 AR (0.54) ARMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL3552312 0.81 MAPK1 (0.79) ARMEN1KMT2AGPR55MAPK1
SCHEMBL3561580 0.80 POLB (0.46) KMT2AMAPK1ALDH1A1SMN1; SMN2LMNA
SCHEMBL3553852 0.80 L3MBTL1 (0.67) MEN1KMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL3554779 0.80 POLB (0.53) MEN1KMT2AALDH1A1LMNAHTT
SCHEMBL3556589 0.79 ALPL (0.47) ALDH1A1FABP5ALPL
SCHEMBL3563514 0.79 SLC22A12 (0.50) MEN1KMT2AALDH1A1FABP5PTGDR2
SCHEMBL3561911 0.79 SLC22A12 (0.44) ARALDH1A1HSP90AA1HSP90AB1MAPT

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 AR 3412/4885MEN1 2548/4885KMT2A 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.