SCHEMBL3558632

SCHEMBL3558632

O=C(O)c1ccc(OCCOc2ccc(NS(=O)(=O)c3cc(Cl)cc(Cl)c3O)cc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACLY P53396 14/20 0.68
MAPK1 P28482 1/20 0.58
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
GPR55 Q9Y2T6 1/20 0.55
HDAC1 Q13547 1/20 0.53
IKBKB O14920 1/20 0.50
FABP4 P15090 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
SCHEMBL3552312 0.86 MAPK1 (0.79) ACLYMAPK1MEN1KMT2AGPR55
SCHEMBL22000209 0.81 ACLY (1.00) ACLYMEN1KMT2AGPR55
SCHEMBL15480545 0.77 ACLY (0.74) ACLYMAPK1HDAC1
SCHEMBL28274067 0.76 ALDH1A1 (0.64) ACLYHDAC1
SCHEMBL28275186 0.76 ACLY (0.67) ACLYMEN1KMT2A
SCHEMBL21999492 0.76 ACLY (1.00) ACLYMEN1KMT2AHDAC1
SCHEMBL3557116 0.75 MEN1 (0.49) MAPK1MEN1KMT2AGPR55IKBKB
SCHEMBL3554420 0.75 ALDH1A1 (0.56) MEN1KMT2AGPR55IKBKB
SCHEMBL22000149 0.75 ACLY (1.00) ACLYHDAC1
SCHEMBL3563809 0.74 MEN1 (0.62) MEN1KMT2AGPR55HDAC1

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 4 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
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

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 ACLY 586/4885MAPK1 667/4885MEN1 2548/4885

“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.