SCHEMBL3564064

SCHEMBL3564064

Cc1c(C)c(C)c(S(=O)(=O)Nc2ccc(OCCOc3ccccc3CCC(=O)O)cc2)c(C)c1C

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.47
POLB P06746 1/20 0.47
PPARD Q03181 2/20 0.45
PPARA Q07869 2/20 0.45
PPARG P37231 1/20 0.45
KEAP1 Q14145 2/20 0.41
NFE2L2 Q16236 2/20 0.41
SQSTM1 Q13501 1/20 0.41
FABP1 P07148 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LTB4R Q15722 2/20 0.41
LTB4R2 Q9NPC1 2/20 0.41
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
FFAR1 O14842 2/20 0.40
DHFR P00374 1/20 0.40
PKM P14618 1/20 0.39
RECQL P46063 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
SCHEMBL3553434 0.89 MEN1 (0.42) TDP1POLBMEN1MAPTKMT2A
SCHEMBL3554396 0.89 ALDH1A1 (0.49) TDP1POLBPPARDPPARAPPARG
SCHEMBL3560693 0.89 F2 (0.45) TDP1POLBPPARDPPARAPPARG
SCHEMBL3554982 0.87 TDP1 (0.59) TDP1POLBKEAP1NFE2L2SQSTM1
SCHEMBL3554255 0.87 TDP1 (0.47) TDP1POLBPPARDPPARAPPARG
SCHEMBL3557130 0.87 ALDH1A1 (0.58) TDP1POLBKEAP1NFE2L2SQSTM1
SCHEMBL3564065 0.86 TDP1 (0.45) TDP1KEAP1NFE2L2SQSTM1ALDH1A1
SCHEMBL3555186 0.86 NPC1 (0.51) TDP1POLBPPARDPPARAPPARG
SCHEMBL3560769 0.85 AR (0.52) TDP1POLBPPARDPPARAPPARG
SCHEMBL3551606 0.84 SMN1; SMN2 (0.58) TDP1POLBPPARDKEAP1NFE2L2

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 3962/4885PPARD 259/4885

“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.