SCHEMBL3558852

SCHEMBL3558852

O=C(O)CCc1ccccc1OCCOc1ccc(NS(=O)(=O)c2ccccc2C(F)(F)F)cc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 11/20 0.48
CYP2C9 P11712 1/20 0.47
SLC22A6 Q4U2R8 1/20 0.47
SLC22A8 Q8TCC7 1/20 0.47
SLC22A11 Q9NSA0 1/20 0.47
FABP1 P07148 1/20 0.45
POLB P06746 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
AXL P30530 1/20 0.44
FFAR4 Q5NUL3 1/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
KMT2A Q03164 1/20 0.43
PKLR P30613 1/20 0.42
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
SCHEMBL3563514 0.90 SLC22A12 (0.50) SLC22A12CYP2C9SLC22A6SLC22A8SLC22A11
SCHEMBL3556010 0.89 FFAR4 (0.47) SLC22A12FABP1POLBTDP1FFAR4
SCHEMBL3557946 0.87 FABP1 (0.47) FABP1POLBTDP1ALDH1A1PTGDR2
SCHEMBL3556274 0.85 AR (0.59) FABP1POLBTDP1FFAR4MEN1
SCHEMBL3556754 0.84 ALDH1A1 (0.57) SLC22A12CYP2C9SLC22A6SLC22A8SLC22A11
SCHEMBL3555624 0.84 PSEN1 (0.53) FABP1POLBTDP1FFAR4PTGDR2
SCHEMBL3554982 0.84 TDP1 (0.59) FABP1POLBTDP1MEN1ALDH1A1
SCHEMBL3560280 0.83 PGR (0.55) FABP1POLBTDP1ALDH1A1
SCHEMBL3560539 0.83 POLB (0.45) FABP1POLBTDP1FFAR4PTGDR2
SCHEMBL4778244 0.83 MEN1 (0.53) FABP1POLBTDP1MEN1ALDH1A1

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 SLC22A12 1094/4885CYP2C9 315/4885SLC22A6 1304/4885

“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.