SCHEMBL3553690

SCHEMBL3553690

O=C(O)c1ccccc1CCc1ccc(NS(=O)(=O)c2ccc(F)cc2F)cc1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 9/20 0.52
FABP5 Q01469 5/20 0.52
SLC16A3 O15427 2/20 0.48
PTK2B Q14289 1/20 0.46
AVPR2 P30518 1/20 0.46
GPR27 Q9NS67 1/20 0.46
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46
KDM4E B2RXH2 1/20 0.45
PTGDR2 Q9Y5Y4 1/20 0.42

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
SCHEMBL3556737 0.89 SLC16A3 (0.53) FABP4FABP5SLC16A3PTK2BKDM4E
SCHEMBL3559119 0.89 PTK2B (0.50) FABP4FABP5SLC16A3PTK2BKDM4E
SCHEMBL3556484 0.87 SLC16A3 (0.63) FABP4FABP5SLC16A3
SCHEMBL3560058 0.85 SLC16A3 (0.58) FABP4FABP5SLC16A3PTK2BKDM4E
SCHEMBL3562024 0.84 SLC16A3 (0.58) SLC16A3AVPR2GPR27
SCHEMBL3561847 0.84 PTK2B (0.52) FABP4FABP5PTK2BPTGDR2
SCHEMBL3557793 0.83 SLC16A3 (0.56) FABP4FABP5SLC16A3PTK2BPTGDR2
SCHEMBL3561412 0.83 PGR (0.54) SLC16A3
SCHEMBL3554747 0.82 SLC16A3 (0.54) FABP4FABP5SLC16A3PTK2BKDM4E
SCHEMBL3551731 0.82 PKM (0.53) SLC16A3PTK2BKDM4E

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 FABP4 251/4885FABP5 799/4885SLC16A3 425/4885

“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.