SCHEMBL3554255

SCHEMBL3554255

O=C(O)CCc1ccccc1OCCOc1ccc(NS(=O)(=O)c2c(F)cccc2F)cc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.47
POLB P06746 1/20 0.47
PKM P14618 1/20 0.46
FABP1 P07148 2/20 0.43
LTB4R Q15722 4/20 0.41
LTB4R2 Q9NPC1 3/20 0.41
AR P10275 1/20 0.41
PPARD Q03181 2/20 0.40
PPARA Q07869 2/20 0.40
FAAH O00519 1/20 0.40
PPARG P37231 1/20 0.40
FFAR1 O14842 1/20 0.39
L3MBTL1 Q9Y468 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
SCHEMBL3557946 0.90 FABP1 (0.47) TDP1POLBFABP1LTB4RLTB4R2
SCHEMBL3559565 0.90 PKM (0.48) TDP1POLBPKMFABP1AR
SCHEMBL3561160 0.87 TDP1 (0.58) TDP1POLBPKMFABP1LTB4R
SCHEMBL3564064 0.87 TDP1 (0.47) TDP1POLBPKMFABP1LTB4R
SCHEMBL3554982 0.86 TDP1 (0.59) TDP1POLBPKMFABP1AR
SCHEMBL3560539 0.85 POLB (0.45) TDP1POLBFABP1LTB4RLTB4R2
SCHEMBL3560765 0.85 PGR (0.55) TDP1POLBPKMFABP1LTB4R
SCHEMBL3554396 0.84 ALDH1A1 (0.49) TDP1POLBLTB4RLTB4R2PPARD
SCHEMBL3555186 0.83 NPC1 (0.51) TDP1POLBLTB4RLTB4R2AR
SCHEMBL3553334 0.82 TDP1 (0.58) TDP1POLBPKMFABP1LTB4R

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 TDP1 2267/4885POLB 3962/4885PKM 990/4885

“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.