SCHEMBL3553617

SCHEMBL3553617

COc1ccc(OC)c(S(=O)(=O)Nc2ccc(OCCOc3ccccc3C(=O)O)cc2)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.65
KMT2A Q03164 3/20 0.65
SMN1; SMN2 Q16637 4/20 0.62
LMNA P02545 4/20 0.62
ALOX12 P18054 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.61
TNF P01375 1/20 0.56
NOD2 Q9HC29 1/20 0.56
NOD1 Q9Y239 1/20 0.56
MAPT P10636 3/20 0.54
ALPL P05186 2/20 0.53
POLB P06746 2/20 0.53
GAA P10253 2/20 0.53
TSHR P16473 1/20 0.53
ALDH1A1 P00352 3/20 0.52
NPSR1 Q6W5P4 2/20 0.52
BCL2L1 Q07817 1/20 0.52
MCL1 Q07820 1/20 0.52
HTT P42858 2/20 0.51
KDM4E B2RXH2 1/20 0.50

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
SCHEMBL3555325 0.86 SMN1; SMN2 (0.69) MEN1KMT2ASMN1; SMN2LMNAALOX12
SCHEMBL3553852 0.86 L3MBTL1 (0.67) MEN1KMT2ASMN1; SMN2LMNAALOX12
SCHEMBL3555533 0.86 PGR (0.61) MEN1KMT2ASMN1; SMN2LMNAMAPT
SCHEMBL3556110 0.86 CA12 (0.60) MEN1KMT2ASMN1; SMN2LMNAL3MBTL1
SCHEMBL3561723 0.85 PGR (0.57) MEN1KMT2ASMN1; SMN2LMNAMAPT
SCHEMBL3553044 0.85 ALDH1A1 (0.62) MEN1KMT2ASMN1; SMN2MAPTALDH1A1
SCHEMBL3554890 0.84 L3MBTL1 (0.59) MEN1KMT2ASMN1; SMN2LMNAALOX12
SCHEMBL3558660 0.82 MEN1 (0.65) MEN1KMT2ASMN1; SMN2LMNAALOX12
SCHEMBL3558986 0.81 ALDH1A1 (0.63) MEN1KMT2ASMN1; SMN2LMNAMAPT
SCHEMBL3552567 0.81 ALDH1A1 (0.54) MEN1KMT2ASMN1; SMN2LMNAMAPT

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 MEN1 2548/4885KMT2A 4045/4885SMN1; SMN2 4522/4885

“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.