SCHEMBL3553540

SCHEMBL3553540

COc1cc(C)c(S(=O)(=O)Nc2ccccc2OCCOc2ccc(C(=O)O)cc2)c(C)c1C

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NMT1 P30419 1/20 0.54
RAD52 P43351 1/20 0.53
L3MBTL1 Q9Y468 3/20 0.47
LMNA P02545 2/20 0.47
MAPT P10636 2/20 0.47
SLC16A3 O15427 3/20 0.46
TDP1 Q9NUW8 2/20 0.46
F2 P00734 1/20 0.43
PKM P14618 1/20 0.43
FABP4 P15090 1/20 0.43
WDR5 P61964 2/20 0.42
KMT2A Q03164 2/20 0.42
POLB P06746 1/20 0.42
MEN1 O00255 1/20 0.41

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
SCHEMBL3553635 0.88 PKM (0.51) RAD52L3MBTL1LMNAMAPTSLC16A3
SCHEMBL3551102 0.87 RAD52 (0.50) RAD52L3MBTL1LMNAMAPTTDP1
SCHEMBL3555623 0.87 WDR5 (0.52) NMT1F2FABP4WDR5POLB
SCHEMBL3559421 0.83 ALDH1A1 (0.49) NMT1F2WDR5KMT2APOLB
SCHEMBL3561108 0.81 NPSR1 (0.55) RAD52L3MBTL1LMNAMAPTSLC16A3
SCHEMBL3558660 0.81 MEN1 (0.65) RAD52L3MBTL1LMNAMAPTTDP1
SCHEMBL3562888 0.81 SLC16A3 (0.64) L3MBTL1LMNAMAPTSLC16A3TDP1
SCHEMBL3563355 0.80 SLC16A3 (0.61) NMT1RAD52SLC16A3TDP1F2
SCHEMBL3560597 0.79 NMT1 (0.45) NMT1L3MBTL1LMNAMAPTF2
SCHEMBL3560287 0.79 SLC16A3 (0.64) RAD52LMNAMAPTSLC16A3PKM

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 NMT1 1573/4885RAD52 4737/4885L3MBTL1 2080/4885

“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.