SCHEMBL3554985

SCHEMBL3554985

O=C(O)CCc1ccccc1OCCOc1ccccc1NS(=O)(=O)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.53
L3MBTL1 Q9Y468 1/20 0.50
KEAP1 Q14145 3/20 0.49
NFE2L2 Q16236 3/20 0.49
SQSTM1 Q13501 2/20 0.48
PTGDR2 Q9Y5Y4 1/20 0.48
ACLY P53396 1/20 0.47
MCL1 Q07820 2/20 0.47
BCL2 P10415 1/20 0.47
BCL2L1 Q07817 1/20 0.47
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
TSHR P16473 1/20 0.43
KMT2A Q03164 1/20 0.43
POLB P06746 2/20 0.43
LTB4R Q15722 2/20 0.43
LTB4R2 Q9NPC1 2/20 0.43
BCL2A1 Q16548 1/20 0.43
CCR1 P32246 1/20 0.43
CCR2 P41597 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
SCHEMBL21647689 0.90 TDP1 (0.47) TDP1L3MBTL1KEAP1NFE2L2SQSTM1
SCHEMBL21647679 0.90 LTB4R (0.51) TDP1L3MBTL1KEAP1NFE2L2SQSTM1
SCHEMBL3563417 0.88 PTGDR2 (0.56) TDP1KEAP1NFE2L2SQSTM1PTGDR2
SCHEMBL3564065 0.86 TDP1 (0.45) TDP1L3MBTL1KEAP1NFE2L2SQSTM1
SCHEMBL3554982 0.85 TDP1 (0.59) TDP1KEAP1NFE2L2SQSTM1KMT2A
SCHEMBL21647730 0.85 LTB4R (0.51) TDP1L3MBTL1KEAP1NFE2L2SQSTM1
SCHEMBL21647779 0.84 TDP1 (0.44) TDP1L3MBTL1KEAP1NFE2L2SQSTM1
SCHEMBL3897238 0.83 KEAP1 (0.55) TDP1KEAP1NFE2L2SQSTM1MCL1
SCHEMBL23440810 0.81 TDP1 (0.42) TDP1L3MBTL1KEAP1NFE2L2SQSTM1
SCHEMBL31548989 0.81 TDP1 (0.42) TDP1L3MBTL1KEAP1NFE2L2SQSTM1

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 2267/4885L3MBTL1 2080/4885KEAP1 1284/4885

“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.