SCHEMBL3554617

SCHEMBL3554617

O=C(O)c1ccc(CCc2ccccc2NS(=O)(=O)c2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 6/20 0.68
HDAC3 O15379 2/20 0.54
NCOR2 Q9Y618 2/20 0.54
HDAC1 Q13547 1/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
ACLY P53396 1/20 0.51
HDAC2 Q92769 1/20 0.51
PTGES2 Q9H7Z7 1/20 0.49
KDM1A O60341 1/20 0.48
KCNA5 P22460 1/20 0.48
MAPT P10636 2/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
LMNA P02545 1/20 0.46
HTT P42858 1/20 0.46
DNMT1 P26358 1/20 0.46
CASP6 P55212 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
GAA P10253 1/20 0.46
KDM4E B2RXH2 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
SCHEMBL3563699 0.94 SLC16A3 (0.60) SLC16A3HDAC3NCOR2HDAC1L3MBTL1
SCHEMBL3564977 0.90 SLC16A3 (0.67) SLC16A3HDAC3NCOR2HDAC1L3MBTL1
SCHEMBL3553847 0.88 SLC16A3 (0.76) SLC16A3HDAC3NCOR2HDAC1HDAC2
SCHEMBL3558355 0.88 SLC16A3 (0.79) SLC16A3ACLYKDM1AMAPTMEN1
SCHEMBL3559926 0.88 SLC16A3 (0.67) SLC16A3ACLYMAPTMEN1KMT2A
SCHEMBL3567080 0.87 SLC16A3 (0.72) SLC16A3HDAC3NCOR2HDAC1HDAC2
SCHEMBL3555485 0.86 SLC16A3 (0.64) SLC16A3HDAC3NCOR2HDAC1HDAC2
SCHEMBL3558244 0.86 SLC16A3 (0.67) SLC16A3HDAC3NCOR2HDAC1HDAC2
SCHEMBL3555286 0.85 SLC16A3 (0.72) SLC16A3HDAC3NCOR2HDAC1L3MBTL1
SCHEMBL3557994 0.85 SLC16A3 (0.72) SLC16A3HDAC3NCOR2HDAC1HDAC2

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 SLC16A3 425/4885HDAC3 3383/4885NCOR2 1141/4885

“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.