SCHEMBL3564080

SCHEMBL3564080

CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(OCCOc3ccc(C(=O)O)cc3)cc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.63
MEN1 O00255 2/20 0.63
MAPT P10636 2/20 0.63
KMT2A Q03164 2/20 0.63
HDAC3 O15379 2/20 0.62
HDAC11 Q96DB2 2/20 0.62
HDAC8 Q9BY41 2/20 0.62
HDAC6 Q9UBN7 2/20 0.62
GFER P55789 1/20 0.59
UQCRB P14927 1/20 0.56
TDP1 Q9NUW8 1/20 0.55
LMNA P02545 2/20 0.54
POLB P06746 2/20 0.54
NR4A2 P43354 1/20 0.54
RXRA P19793 1/20 0.54
RXRB P28702 1/20 0.54
PTPN5 P54829 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
WDR5 P61964 2/20 0.54
CA1 P00915 2/20 0.53

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
SCHEMBL3559157 0.90 GFER (0.56) ALDH1A1MEN1MAPTKMT2AHDAC3
SCHEMBL3555882 0.86 GFER (0.79) ALDH1A1MEN1MAPTKMT2AHDAC3
SCHEMBL3562032 0.86 SMN1; SMN2 (0.71) MEN1MAPTKMT2AGFERTDP1
SCHEMBL3559760 0.86 HDAC1 (0.64) ALDH1A1HDAC3HDAC11HDAC8HDAC6
SCHEMBL3563809 0.85 MEN1 (0.62) MEN1MAPTKMT2AHDAC3HDAC11
SCHEMBL3561131 0.85 POLB (0.51) MEN1KMT2AHDAC3UQCRBTDP1
SCHEMBL3552950 0.85 PTPN5 (0.54) ALDH1A1MEN1MAPTKMT2AHDAC3
SCHEMBL3564489 0.84 GFER (0.60) ALDH1A1MEN1MAPTKMT2AGFER
SCHEMBL3558276 0.84 UQCRB (0.52) ALDH1A1MEN1MAPTKMT2AHDAC3
SCHEMBL3563426 0.84 ALDH1A1 (0.67) ALDH1A1MEN1MAPTKMT2AHDAC3

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 ALDH1A1 61/4885MEN1 2548/4885MAPT 4130/4885

“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.