SCHEMBL3552312

SCHEMBL3552312

O=C(O)c1ccc(OCCOc2ccc(NS(=O)(=O)c3cc(Cl)ccc3Cl)cc2)cc1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.79
MEN1 O00255 5/20 0.66
KMT2A Q03164 5/20 0.66
GPR55 Q9Y2T6 1/20 0.66
AR P10275 1/20 0.65
HSD17B10 Q99714 2/20 0.58
POLB P06746 1/20 0.58
HPGD P15428 2/20 0.56
IKBKB O14920 1/20 0.55
HTT P42858 5/20 0.54
MAPT P10636 4/20 0.54
ALDH1A1 P00352 3/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
LMNA P02545 2/20 0.54
FABP4 P15090 1/20 0.53
ITGA1 P56199 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
ACLY P53396 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
GAA P10253 1/20 0.49

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
SCHEMBL3558632 0.86 ACLY (0.68) MAPK1MEN1KMT2AGPR55IKBKB
SCHEMBL3562211 0.85 AR (0.64) MAPK1MEN1KMT2AGPR55AR
SCHEMBL3558901 0.85 MAPK1 (0.57) MAPK1MEN1KMT2AGPR55AR
SCHEMBL3554085 0.84 MAPK1 (0.85) MAPK1MEN1KMT2AGPR55AR
SCHEMBL3556997 0.81 AR (0.61) MAPK1MEN1KMT2AGPR55AR
SCHEMBL1471566 0.77 AR (0.64) MAPK1MEN1KMT2AARHSD17B10
SCHEMBL3557116 0.77 MEN1 (0.49) MAPK1MEN1KMT2AGPR55HPGD
SCHEMBL3554420 0.77 ALDH1A1 (0.56) MEN1KMT2AGPR55HSD17B10POLB
SCHEMBL3563809 0.76 MEN1 (0.62) MEN1KMT2AGPR55ARPOLB
SCHEMBL15480543 0.76 MAPK1 (0.75) MAPK1MEN1KMT2AHSD17B10POLB

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 MAPK1 667/4885MEN1 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.