SCHEMBL3561816

SCHEMBL3561816

O=C(O)c1ccc(OCCOc2ccc(NS(=O)(=O)Cc3ccccc3)cc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AR P10275 3/20 0.66
HPGD P15428 1/20 0.64
PGR P06401 1/20 0.63
PKM P14618 1/20 0.60
KMT2A Q03164 4/20 0.55
NR4A1 P22736 1/20 0.54
NR4A2 P43354 1/20 0.54
NR4A3 Q92570 1/20 0.54
HSD17B10 Q99714 2/20 0.52
ALOX15 P16050 1/20 0.52
MEN1 O00255 3/20 0.52
GPR55 Q9Y2T6 1/20 0.52
HDAC1 Q13547 1/20 0.51
SRD5A2 P31213 1/20 0.50
PLA2G4B P0C869 2/20 0.49
TSHR P16473 1/20 0.49
ADRB2 P07550 1/20 0.48
ADRB1 P08588 1/20 0.48
ADRB3 P13945 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
SCHEMBL1650346 0.90 HPGD (0.77) ARHPGDPGRKMT2AHSD17B10
SCHEMBL3553546 0.85 PKM (0.55) ARHPGDPGRPKMKMT2A
SCHEMBL3554831 0.85 ALDH1A1 (0.62) ARHPGDPGRPKMKMT2A
SCHEMBL3559068 0.85 HPGD (0.59) ARHPGDPKMHSD17B10ALOX15
SCHEMBL3560317 0.85 HPGD (0.69) ARHPGDPGRKMT2AHSD17B10
SCHEMBL3563809 0.82 MEN1 (0.62) ARPGRPKMKMT2AMEN1
SCHEMBL28221690 0.82 HDAC8 (0.62) ARHPGDPGRPLA2G4BTSHR
SCHEMBL27812662 0.82 AR (0.71) ARHPGDPGRKMT2AHSD17B10
SCHEMBL3555970 0.80 NPC1 (0.61) ARHPGDPGRPKMHSD17B10
SCHEMBL3561953 0.80 PKM (0.51) PKMHSD17B10ALOX15PLA2G4BTSHR

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 3412/4885HPGD 389/4885PGR 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.