SCHEMBL3564030

SCHEMBL3564030

CC(C)S(=O)(=O)Nc1ccc(OCCOc2ccc(C(=O)O)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.56
PKM P14618 1/20 0.54
RARB P10826 5/20 0.50
TSHR P16473 2/20 0.50
USP2 O75604 1/20 0.50
ALOX15 P16050 1/20 0.50
HSD17B10 Q99714 1/20 0.50
TP53 P04637 1/20 0.49
PLA2G4B P0C869 2/20 0.48
GFER P55789 1/20 0.47
SRD5A2 P31213 1/20 0.47
MAPT P10636 2/20 0.46
HTT P42858 1/20 0.46
ADRB2 P07550 1/20 0.46
ADRB1 P08588 1/20 0.46
ADRB3 P13945 1/20 0.46
WDR5 P61964 1/20 0.46
RAB9A P51151 1/20 0.46

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
SCHEMBL6091548 0.87 GRIA4 (0.51) MAPK1TSHRTP53GFERMAPT
SCHEMBL3555970 0.84 NPC1 (0.61) MAPK1PKMRARBTSHRUSP2
SCHEMBL3559068 0.83 HPGD (0.59) MAPK1PKMRARBTSHRUSP2
SCHEMBL6194986 0.82 GRIA4 (0.58) TSHRGFERSRD5A2MAPTHTT
SCHEMBL3558658 0.81 GRIA4 (0.48) RARBHTTADRB2ADRB1ADRB3
SCHEMBL3559535 0.80 GFER (0.59) MAPK1PKMGFERMAPTWDR5
SCHEMBL3560298 0.78 GFER (0.54) MAPK1PKMTSHRUSP2ALOX15
SCHEMBL3561953 0.78 PKM (0.51) MAPK1PKMRARBTSHRUSP2
SCHEMBL3563809 0.78 MEN1 (0.62) PKMGFERMAPTHTTWDR5
SCHEMBL3556343 0.78 PTPN1 (0.56) MAPK1PKMRARBTSHRUSP2

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 667/4885PKM 990/4885RARB 1279/4885

“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.