SCHEMBL3564979

SCHEMBL3564979

O=C(O)c1cccc(CCc2ccc(NS(=O)(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 2/20 0.51
SLC16A3 O15427 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
AKR1C3 P42330 2/20 0.48
AKR1C2 P52895 1/20 0.48
PSEN1 P49768 1/20 0.47
PSEN2 P49810 1/20 0.47
APH1B Q8WW43 1/20 0.47
NCSTN Q92542 1/20 0.47
APH1A Q96BI3 1/20 0.47
PSENEN Q9NZ42 1/20 0.47
IDH1 O75874 2/20 0.47
MAPT P10636 1/20 0.47
PKLR P30613 1/20 0.46
GAA P10253 1/20 0.46
NR3C1 P04150 1/20 0.46
PGR P06401 1/20 0.46
AR P10275 1/20 0.46
ESR2 Q92731 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
SCHEMBL3557078 0.92 NR3C1 (0.56) SERPINE1SLC16A3MEN1KMT2AAKR1C3
SCHEMBL3556854 0.92 MAPT (0.53) SERPINE1SLC16A3MEN1KMT2AAKR1C3
SCHEMBL3554311 0.91 SLC16A3 (0.55) SERPINE1SLC16A3MEN1KMT2AIDH1
SCHEMBL3556578 0.90 PSEN1 (0.52) SERPINE1MEN1KMT2APSEN1PSEN2
SCHEMBL3565016 0.89 MAPT (0.54) SERPINE1MEN1KMT2AAKR1C3AKR1C2
SCHEMBL3552742 0.85 MEN1 (0.63) SLC16A3MEN1KMT2AAKR1C3POLB
SCHEMBL3553439 0.84 GAA (0.62) SERPINE1MEN1KMT2AIDH1MAPT
SCHEMBL3558864 0.84 NR3C1 (0.59) SERPINE1MEN1KMT2AIDH1MAPT
SCHEMBL3560831 0.84 SLC16A3 (0.72) SLC16A3MEN1KMT2AAKR1C3GAA
SCHEMBL3556522 0.83 SLC16A3 (0.58) SLC16A3MEN1KMT2AMAPTGAA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 SERPINE1 420/4885SLC16A3 425/4885MEN1 2548/4885

“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.