SCHEMBL3554975

SCHEMBL3554975

O=C(O)c1ccccc1CCc1ccc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.62
GAA P10253 2/20 0.62
MEN1 O00255 2/20 0.62
NR3C1 P04150 1/20 0.56
PGR P06401 1/20 0.56
AR P10275 1/20 0.56
ESR2 Q92731 1/20 0.56
ACLY P53396 1/20 0.54
SERPINE1 P05121 1/20 0.53
HDAC1 Q13547 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
PKLR P30613 1/20 0.51
HSD17B2 P37059 1/20 0.50
PTPN2 P17706 3/20 0.48
PTPN1 P18031 3/20 0.48
PTPN5 P54829 3/20 0.48
HSPD1 P10809 2/20 0.48
HSPE1 P61604 2/20 0.48
IDH1 O75874 1/20 0.47
MAPT P10636 1/20 0.47

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
SCHEMBL3553456 0.92 MEN1 (0.50) KMT2AGAAMEN1NR3C1PGR
SCHEMBL3552616 0.88 AR (0.55) KMT2AMEN1ARACLYSERPINE1
SCHEMBL3561412 0.86 PGR (0.54) KMT2AMEN1PGRHDAC1HDAC8
SCHEMBL3558864 0.86 NR3C1 (0.59) KMT2AGAAMEN1NR3C1PGR
SCHEMBL3556577 0.85 HDAC1 (0.60) KMT2AMEN1HDAC1HDAC8
SCHEMBL3557078 0.85 NR3C1 (0.56) KMT2AGAAMEN1NR3C1PGR
SCHEMBL3554799 0.84 ALDH1A1 (0.55) KMT2AMEN1HDAC1HDAC8MAPT
SCHEMBL3561240 0.83 KMT2A (0.51) KMT2AGAAMEN1ACLYSERPINE1
SCHEMBL3553504 0.82 MEN1 (0.73) KMT2AGAAMEN1NR3C1PGR
SCHEMBL3559926 0.81 SLC16A3 (0.67) KMT2AGAAMEN1ACLYMAPT

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 KMT2A 4045/4885GAA 1191/4885MEN1 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.