SCHEMBL3563721

SCHEMBL3563721

O=C(O)c1ccccc1CCc1cccc(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 2/20 0.51
SLC16A3 O15427 2/20 0.50
HTR6 P50406 5/20 0.47
FFAR4 Q5NUL3 1/20 0.45
MCL1 Q07820 1/20 0.45
KEAP1 Q14145 1/20 0.45
NFE2L2 Q16236 1/20 0.45
MAPT P10636 1/20 0.45
ROCK2 O75116 1/20 0.44
ROCK1 Q13464 1/20 0.44
HDAC3 O15379 2/20 0.44
HDAC4 P56524 2/20 0.44
HDAC1 Q13547 2/20 0.44
HDAC7 Q8WUI4 2/20 0.44
HDAC2 Q92769 2/20 0.44
HDAC10 Q969S8 2/20 0.44
HDAC11 Q96DB2 2/20 0.44
HDAC8 Q9BY41 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
HDAC9 Q9UKV0 2/20 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
SCHEMBL3560780 0.89 HDAC1 (0.51) SERPINE1HTR6FFAR4MCL1HDAC3
SCHEMBL3561481 0.88 MRGPRX4 (0.57) SERPINE1SLC16A3HTR6FFAR4MAPT
SCHEMBL3558965 0.87 CYP19A1 (0.57) SLC16A3HTR6KEAP1NFE2L2
SCHEMBL3564095 0.87 MAPT (0.57) SLC16A3HTR6MAPT
SCHEMBL3561338 0.86 HTR6 (0.62) SLC16A3HTR6MCL1KEAP1NFE2L2
SCHEMBL3556257 0.86 SLC16A3 (0.67) SLC16A3HTR6KEAP1NFE2L2MAPT
SCHEMBL3557532 0.85 SERPINE1 (0.51) SERPINE1SLC16A3HTR6FFAR4MAPT
SCHEMBL3562226 0.85 ALDH1A1 (0.58) SLC16A3HTR6KEAP1NFE2L2MAPT
SCHEMBL3551639 0.84 SLC16A3 (0.59) SLC16A3HTR6KEAP1NFE2L2MAPT
SCHEMBL3561309 0.84 FABP4 (0.48) SLC16A3

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 SERPINE1 420/4885SLC16A3 425/4885HTR6 2387/4885

“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.