SCHEMBL3556010

SCHEMBL3556010

O=C(O)CCc1ccccc1OCCOc1ccc(NS(=O)(=O)c2ccccc2OC(F)(F)F)cc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 2/20 0.47
ALPL P05186 1/20 0.45
FABP1 P07148 1/20 0.45
POLB P06746 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
IDH1 O75874 4/20 0.44
SLC22A12 Q96S37 3/20 0.43
FFAR1 O14842 2/20 0.41
GSK3B P49841 1/20 0.41
SLC40A1 Q9NP59 1/20 0.40
FABP4 P15090 1/20 0.40
FABP5 Q01469 1/20 0.40
PPARG P37231 1/20 0.39
PPARD Q03181 1/20 0.39
PPARA Q07869 1/20 0.39

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
SCHEMBL3556589 0.90 ALPL (0.47) FFAR4ALPLFABP1POLBIDH1
SCHEMBL3555033 0.89 TDP1 (0.54) FFAR4FABP1POLBTDP1FFAR1
SCHEMBL3558852 0.89 SLC22A12 (0.48) FFAR4FABP1POLBTDP1SLC22A12
SCHEMBL3557946 0.87 FABP1 (0.47) FABP1POLBTDP1PPARD
SCHEMBL3554888 0.84 ALDH1A1 (0.53) FFAR4ALPLIDH1SLC22A12GSK3B
SCHEMBL3558029 0.84 ALPL (0.50) ALPLIDH1SLC22A12GSK3BSLC40A1
SCHEMBL3554982 0.84 TDP1 (0.59) FABP1POLBTDP1
SCHEMBL3560280 0.83 PGR (0.55) FABP1POLBTDP1FFAR1FABP4
SCHEMBL3558430 0.83 POLB (0.51) FABP1POLBTDP1IDH1PPARG
SCHEMBL3560539 0.83 POLB (0.45) FFAR4FABP1POLBTDP1FFAR1

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 FFAR4 70/4885ALPL 3541/4885FABP1 521/4885

“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.