SCHEMBL3556578

SCHEMBL3556578

O=C(O)c1ccc(CCc2ccc(NS(=O)(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 4/20 0.52
PSEN2 P49810 4/20 0.52
APH1B Q8WW43 4/20 0.52
NCSTN Q92542 4/20 0.52
APH1A Q96BI3 4/20 0.52
PSENEN Q9NZ42 4/20 0.52
SERPINE1 P05121 4/20 0.50
GAA P10253 1/20 0.49
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA9 Q16790 1/20 0.49
CYP2D6 P10635 3/20 0.48
CYP3A4 P08684 1/20 0.47
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC10 Q969S8 1/20 0.47

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
SCHEMBL3564979 0.90 SERPINE1 (0.51) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3565016 0.90 MAPT (0.54) SERPINE1GAAPPARGIDH1MEN1
SCHEMBL3558864 0.89 NR3C1 (0.59) SERPINE1GAACA1CA2HDAC1
SCHEMBL3558002 0.89 HDAC3 (0.60) SERPINE1GAACA12CA1CA2
SCHEMBL3561856 0.84 PSEN1 (0.63) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3564977 0.84 SLC16A3 (0.67) GAAHDAC3HDAC1HDAC2L3MBTL1
SCHEMBL3553456 0.84 MEN1 (0.50) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3557078 0.82 NR3C1 (0.56) SERPINE1GAAHDAC1HDAC8IDH1
SCHEMBL3555136 0.82 MAPT (0.59) SERPINE1GAAIDH1MEN1MAPT
SCHEMBL3556854 0.81 MAPT (0.53) SERPINE1GAAPPARGIDH1MEN1

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 PSEN1 1325/4885PSEN2 2551/4885APH1B 1207/4885

“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.