SCHEMBL3564065

SCHEMBL3564065

Cc1c(C)c(C)c(S(=O)(=O)Nc2ccccc2OCCOc2ccccc2CCC(=O)O)c(C)c1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
LTB4R Q15722 3/20 0.43
LTB4R2 Q9NPC1 3/20 0.43
ALDH1A1 P00352 2/20 0.42
LMNA P02545 2/20 0.42
MAPT P10636 2/20 0.42
DHFR P00374 1/20 0.41
KEAP1 Q14145 2/20 0.41
NFE2L2 Q16236 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
HSD17B10 Q99714 1/20 0.41
SQSTM1 Q13501 1/20 0.41
THRA P10827 1/20 0.40
THRB P10828 1/20 0.40

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
SCHEMBL3553437 0.89 MEN1 (0.47) TDP1MEN1KMT2AL3MBTL1LTB4R
SCHEMBL3554985 0.86 TDP1 (0.53) TDP1KMT2AL3MBTL1LTB4RLTB4R2
SCHEMBL3564064 0.86 TDP1 (0.47) TDP1MEN1KMT2ALTB4RLTB4R2
SCHEMBL3560312 0.81 ALDH1A1 (0.56) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL3553635 0.79 PKM (0.51) TDP1MEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL21647689 0.77 TDP1 (0.47) TDP1KMT2AL3MBTL1LTB4RLTB4R2
SCHEMBL21647679 0.76 LTB4R (0.51) TDP1L3MBTL1LTB4RLTB4R2DHFR
SCHEMBL3560693 0.76 F2 (0.45) TDP1ALDH1A1
SCHEMBL3554396 0.75 ALDH1A1 (0.49) TDP1MEN1KMT2ALTB4RLTB4R2
SCHEMBL3553434 0.75 MEN1 (0.42) TDP1MEN1KMT2AL3MBTL1LMNA

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 2267/4885MEN1 2548/4885KMT2A 4045/4885

“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.