SCHEMBL3556558

SCHEMBL3556558

O=C(O)Cc1ccccc1OCCOc1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FABP1 P07148 2/20 0.68
TP53 P04637 1/20 0.57
HTT P42858 1/20 0.57
ALDH1A1 P00352 3/20 0.54
GAA P10253 1/20 0.54
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
PKLR P30613 5/20 0.50
HDAC1 Q13547 1/20 0.49
PKM P14618 2/20 0.49
POLB P06746 1/20 0.48
MAPT P10636 1/20 0.48
RAB9A P51151 1/20 0.48

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
SCHEMBL3555597 0.83 FABP1 (0.74) FABP1TP53HTTALDH1A1GAA
SCHEMBL3561911 0.82 SLC22A12 (0.44) FABP1ALDH1A1POLBMAPT
SCHEMBL3563411 0.81 AR (0.54) HTTMEN1KMT2AHDAC1PKM
SCHEMBL3556589 0.80 ALPL (0.47) FABP1ALDH1A1POLB
SCHEMBL3563514 0.80 SLC22A12 (0.50) FABP1ALDH1A1MEN1KMT2APKLR
SCHEMBL3563703 0.80 MEN1 (0.55) FABP1ALDH1A1GAAMEN1KMT2A
SCHEMBL3561344 0.79 PGR (0.56) HTTALDH1A1GAAMEN1KMT2A
SCHEMBL3553907 0.79 AR (0.61) FABP1HTTGAAMEN1KMT2A
SCHEMBL3564784 0.79 SLC16A3 (0.64) FABP1ALDH1A1GAAMEN1KMT2A
SCHEMBL3559565 0.78 PKM (0.48) FABP1GAAPKMPOLB

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 521/4885TP53 3590/4885HTT 3739/4885

“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.