SCHEMBL3558042

SCHEMBL3558042

Cc1ccc(S(=O)(=O)Nc2ccc(OCCOc3ccccc3CCC(=O)O)cc2)c(C)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.45
PTGER1 P34995 1/20 0.45
PTGER4 P35408 1/20 0.45
PTGER3 P43115 1/20 0.45
PTGER2 P43116 1/20 0.45
GAA P10253 1/20 0.45
TSHR P16473 1/20 0.45
ALDH1A1 P00352 4/20 0.44
TDP1 Q9NUW8 1/20 0.44
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
RAPGEF3 O95398 1/20 0.43
PPARG P37231 2/20 0.42
FABP1 P07148 1/20 0.42
MAPT P10636 1/20 0.42
LMNA P02545 1/20 0.42
PKM P14618 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 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
SCHEMBL3561580 0.90 POLB (0.46) POLBGAATSHRALDH1A1HPGD
SCHEMBL3554396 0.89 ALDH1A1 (0.49) POLBGAATSHRALDH1A1TDP1
SCHEMBL3557130 0.86 ALDH1A1 (0.58) POLBTSHRALDH1A1TDP1MAPT
SCHEMBL3558430 0.86 POLB (0.51) POLBGAATSHRALDH1A1TDP1
SCHEMBL4778235 0.86 TDP1 (0.49) POLBALDH1A1TDP1HPGDFABP1
SCHEMBL3560539 0.84 POLB (0.45) POLBTDP1FABP1
SCHEMBL3564064 0.83 TDP1 (0.47) POLBALDH1A1TDP1PPARGFABP1
SCHEMBL3554890 0.83 L3MBTL1 (0.59) POLBGAATSHRALDH1A1MAPT
SCHEMBL3554982 0.83 TDP1 (0.59) POLBALDH1A1TDP1FABP1MAPT
SCHEMBL3557946 0.82 FABP1 (0.47) POLBALDH1A1TDP1FABP1PPARD

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 POLB 3962/4885PTGER1 39/4885PTGER4 174/4885

“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.