SCHEMBL3558029

SCHEMBL3558029

O=C(O)c1ccc(OCCOc2ccc(NS(=O)(=O)c3ccccc3OC(F)(F)F)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALPL P05186 3/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
GPR55 Q9Y2T6 1/20 0.49
PKM P14618 1/20 0.49
IDH1 O75874 1/20 0.48
EPHX2 P34913 1/20 0.48
TSHR P16473 1/20 0.48
RXRA P19793 1/20 0.48
RXRB P28702 1/20 0.48
RXRG P48443 1/20 0.48
SLC22A12 Q96S37 3/20 0.47
FABP4 P15090 2/20 0.47
GSK3B P49841 1/20 0.47
PTK2B Q14289 1/20 0.46
MRGPRX1 Q96LB2 1/20 0.46
FABP5 Q01469 1/20 0.46
SLC40A1 Q9NP59 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
SCHEMBL3558810 0.89 MRGPRX1 (0.51) ALPLMEN1KMT2APKMEPHX2
SCHEMBL3554888 0.89 ALDH1A1 (0.53) ALPLMEN1KMT2AIDH1SLC22A12
SCHEMBL3556453 0.87 RXRA (0.53) ALPLMEN1KMT2AGPR55IDH1
SCHEMBL3556589 0.85 ALPL (0.47) ALPLIDH1SLC22A12FABP4GSK3B
SCHEMBL3559455 0.84 SLC22A12 (0.55) MEN1KMT2AGPR55PKMTSHR
SCHEMBL3556010 0.84 FFAR4 (0.47) ALPLIDH1SLC22A12FABP4GSK3B
SCHEMBL3555144 0.83 PTK2B (0.57) MEN1KMT2AGPR55PKMTSHR
SCHEMBL3559418 0.79 TSHR (0.79) MEN1KMT2AGPR55PKMTSHR
SCHEMBL3556343 0.79 PTPN1 (0.56) PKMEPHX2TSHR
SCHEMBL3563809 0.79 MEN1 (0.62) MEN1KMT2AGPR55PKM

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 ALPL 3541/4885MEN1 2548/4885KMT2A 4045/4885

“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.