SCHEMBL3557078

SCHEMBL3557078

O=C(O)c1cccc(CCc2ccc(NS(=O)(=O)c3cccc(C(F)(F)F)c3)cc2)c1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 1/20 0.56
PGR P06401 1/20 0.56
AR P10275 1/20 0.56
ESR2 Q92731 1/20 0.56
GAA P10253 2/20 0.55
SERPINE1 P05121 1/20 0.55
PKLR P30613 1/20 0.55
KMT2A Q03164 5/20 0.54
MEN1 O00255 4/20 0.54
HDAC1 Q13547 1/20 0.53
HDAC8 Q9BY41 1/20 0.53
HSD17B2 P37059 1/20 0.52
MAPT P10636 1/20 0.51
IDH1 O75874 1/20 0.51
AKR1C3 P42330 1/20 0.50
SLC16A3 O15427 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
SCHEMBL3553439 0.92 GAA (0.62) NR3C1PGRARESR2GAA
SCHEMBL3564979 0.92 SERPINE1 (0.51) NR3C1PGRARESR2GAA
SCHEMBL3558864 0.92 NR3C1 (0.59) NR3C1PGRARESR2GAA
SCHEMBL3554311 0.90 SLC16A3 (0.55) ARSERPINE1KMT2AMEN1HDAC1
SCHEMBL3555136 0.89 MAPT (0.59) NR3C1PGRARESR2GAA
SCHEMBL3552742 0.86 MEN1 (0.63) KMT2AMEN1HDAC1HDAC8AKR1C3
SCHEMBL3556207 0.85 MEN1 (0.57) PGRKMT2AMEN1HDAC1HDAC8
SCHEMBL3554975 0.85 KMT2A (0.62) NR3C1PGRARESR2GAA
SCHEMBL3556854 0.84 MAPT (0.53) GAASERPINE1KMT2AMEN1MAPT
SCHEMBL3553475 0.84 SLC16A3 (0.71) GAAKMT2AMEN1SLC16A3

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

“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.