SCHEMBL3556274

SCHEMBL3556274

O=C(O)CCc1ccccc1OCCOc1ccc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.59
TDP1 Q9NUW8 2/20 0.54
POLB P06746 1/20 0.54
CACNA1B Q00975 3/20 0.52
CACNA1H O95180 2/20 0.52
FFAR1 O14842 1/20 0.46
FFAR4 Q5NUL3 1/20 0.46
GPR27 Q9NS67 3/20 0.45
KEAP1 Q14145 2/20 0.45
NFE2L2 Q16236 2/20 0.45
AVPR2 P30518 2/20 0.45
SQSTM1 Q13501 1/20 0.45
MEN1 O00255 1/20 0.45
MAPT P10636 1/20 0.45
KMT2A Q03164 1/20 0.45
FABP1 P07148 1/20 0.45
PPARG P37231 1/20 0.44
PKM P14618 1/20 0.43
RECQL P46063 1/20 0.43
PTPN1 P18031 1/20 0.43

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
SCHEMBL3555624 0.91 PSEN1 (0.53) ARTDP1POLBCACNA1BCACNA1H
SCHEMBL3559882 0.90 POLB (0.54) ARTDP1POLBCACNA1BKEAP1
SCHEMBL3555033 0.90 TDP1 (0.54) ARTDP1POLBCACNA1BFFAR1
SCHEMBL3558265 0.90 AR (0.61) ARTDP1POLBCACNA1BCACNA1H
SCHEMBL3561160 0.90 TDP1 (0.58) ARTDP1POLBCACNA1BCACNA1H
SCHEMBL3554982 0.90 TDP1 (0.59) ARTDP1POLBCACNA1BKEAP1
SCHEMBL3560722 0.90 AR (0.58) ARTDP1POLBFFAR1FFAR4
SCHEMBL3553334 0.88 TDP1 (0.58) ARTDP1POLBCACNA1BKEAP1
SCHEMBL3557130 0.87 ALDH1A1 (0.58) ARTDP1POLBCACNA1BFFAR1
SCHEMBL3551606 0.87 SMN1; SMN2 (0.58) TDP1POLBCACNA1BKEAP1NFE2L2

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 AR 3412/4885TDP1 2267/4885POLB 3962/4885

“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.