SCHEMBL3553546

SCHEMBL3553546

O=C(O)c1ccc(OCCOc2ccccc2NS(=O)(=O)Cc2ccccc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.55
NR4A1 P22736 1/20 0.49
NR4A2 P43354 1/20 0.49
NR4A3 Q92570 1/20 0.49
ALDH1A1 P00352 2/20 0.48
MAPK1 P28482 1/20 0.48
PTK2B Q14289 1/20 0.48
AR P10275 1/20 0.47
HPGD P15428 1/20 0.46
SRD5A2 P31213 1/20 0.46
LMNA P02545 2/20 0.45
PLA2G4B P0C869 2/20 0.45
ACLY P53396 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
MAPT P10636 1/20 0.45
PGR P06401 1/20 0.45
TSHR P16473 1/20 0.45
HSD17B10 Q99714 1/20 0.45
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL3561678 0.89 PKM (0.56) PKMALDH1A1MAPK1LMNAPLA2G4B
Benzene SCHEMBL3553547 0.85 PKM (0.57) PKMNR4A1NR4A2NR4A3ALDH1A1
SCHEMBL3563109 0.85 PKM (0.57) PKMNR4A1NR4A2NR4A3ALDH1A1
SCHEMBL3561816 0.85 AR (0.66) PKMNR4A1NR4A2NR4A3AR
SCHEMBL3554984 0.84 PKM (0.56) PKMLMNATDP1
SCHEMBL3554494 0.84 PKM (0.56) PKMMAPK1LMNASMN1; SMN2L3MBTL1
SCHEMBL3560257 0.84 MRGPRX1 (0.59) PKMARPLA2G4BTSHR
SCHEMBL3561818 0.82 PKM (0.54) PKMALDH1A1MAPK1SRD5A2LMNA
SCHEMBL3561665 0.80 CACNA1H (0.58) PKMARTDP1MEN1KMT2A
SCHEMBL3563406 0.80 CACNA1H (0.52) PKMMAPK1ACLYMAPTTDP1

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 PKM 990/4885NR4A1 1203/4885NR4A2 2394/4885

“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.