SCHEMBL3560722

SCHEMBL3560722

O=C(O)CCc1ccccc1OCCOc1ccc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.58
NR3C1 P04150 1/20 0.58
PGR P06401 1/20 0.58
ESR2 Q92731 1/20 0.58
POLB P06746 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
HDAC1 Q13547 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
KMT2A Q03164 4/20 0.46
SERPINE1 P05121 1/20 0.46
MEN1 O00255 2/20 0.45
GAA P10253 2/20 0.45
IDH1 O75874 1/20 0.45
IDH2 P48735 2/20 0.45
PSEN1 P49768 1/20 0.45
PSEN2 P49810 1/20 0.45
APH1B Q8WW43 1/20 0.45
NCSTN Q92542 1/20 0.45
APH1A Q96BI3 1/20 0.45
PSENEN Q9NZ42 1/20 0.45

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
SCHEMBL3555624 0.93 PSEN1 (0.53) ARNR3C1PGRESR2POLB
SCHEMBL3565125 0.91 AR (0.60) ARNR3C1PGRESR2HDAC1
SCHEMBL3556274 0.90 AR (0.59) ARPOLBTDP1HDAC1HDAC8
SCHEMBL3560765 0.88 PGR (0.55) ARPGRPOLBTDP1HDAC1
SCHEMBL3554982 0.87 TDP1 (0.59) ARPGRPOLBTDP1HDAC1
SCHEMBL4778235 0.86 TDP1 (0.49) ARPGRPOLBTDP1HDAC1
SCHEMBL3561094 0.85 PGR (0.57) PGRPOLBTDP1HDAC1HDAC8
SCHEMBL3555033 0.84 TDP1 (0.54) ARPOLBTDP1HDAC1HDAC8
SCHEMBL3556046 0.84 PGR (0.54) PGRPOLBTDP1HDAC1HDAC8
SCHEMBL3561160 0.84 TDP1 (0.58) ARPOLBTDP1KMT2AMEN1

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 AR 3412/4885NR3C1 951/4885PGR 1338/4885

“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.