SCHEMBL3558276

SCHEMBL3558276

CC(C(=O)O)c1ccc(OCCOc2ccc(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UQCRB P14927 1/20 0.52
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
MAPT P10636 3/20 0.52
ALDH1A1 P00352 2/20 0.52
HDAC3 O15379 2/20 0.51
HDAC11 Q96DB2 2/20 0.51
HDAC8 Q9BY41 2/20 0.51
HDAC6 Q9UBN7 2/20 0.51
NR1H4 Q96RI1 1/20 0.51
LMNA P02545 2/20 0.51
POLB P06746 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.50
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C19 P33261 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
RORA P35398 1/20 0.48
ATM Q13315 1/20 0.47

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
SCHEMBL11595384 0.85 NR1H4 (0.56) MEN1KMT2AALDH1A1NR1H4LMNA
SCHEMBL3564080 0.84 ALDH1A1 (0.63) UQCRBMEN1KMT2AMAPTALDH1A1
SCHEMBL5098058 0.80 LMNA (0.61) MEN1KMT2AMAPTALDH1A1HDAC3
SCHEMBL3552950 0.79 PTPN5 (0.54) UQCRBMEN1KMT2AMAPTALDH1A1
SCHEMBL3559535 0.77 GFER (0.59) MEN1KMT2AMAPTLMNAPOLB
SCHEMBL3551269 0.77 LMNA (0.50) UQCRBMEN1KMT2AMAPTALDH1A1
SCHEMBL3559882 0.76 POLB (0.54) UQCRBMEN1KMT2AMAPTALDH1A1
SCHEMBL1345163 0.76 MEN1 (0.59) MEN1KMT2AMAPTALDH1A1HDAC3
SCHEMBL1345584 0.76 MEN1 (0.59) MEN1KMT2AMAPTALDH1A1HDAC3
SCHEMBL14924791 0.75 ALDH1A1 (0.62) UQCRBMEN1KMT2AMAPTALDH1A1

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 2 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 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 UQCRB 162/4885MEN1 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.