SCHEMBL3554890

SCHEMBL3554890

COc1ccc(OC)c(S(=O)(=O)Nc2ccc(OCCOc3ccccc3CCC(=O)O)cc2)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.59
SMN1; SMN2 Q16637 4/20 0.58
LMNA P02545 4/20 0.58
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
ALOX12 P18054 1/20 0.58
TNF P01375 1/20 0.53
NOD2 Q9HC29 1/20 0.53
NOD1 Q9Y239 1/20 0.53
MAPT P10636 2/20 0.53
POLB P06746 1/20 0.52
GAA P10253 1/20 0.52
TSHR P16473 1/20 0.52
ALPL P05186 2/20 0.50
MAPK1 P28482 1/20 0.50
NPSR1 Q6W5P4 2/20 0.48
ALDH1A1 P00352 1/20 0.48
HTT P42858 1/20 0.48
CPT1A P50416 1/20 0.47
CPT1B Q92523 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
SCHEMBL3553852 0.90 L3MBTL1 (0.67) L3MBTL1SMN1; SMN2LMNAMEN1KMT2A
SCHEMBL3561094 0.87 PGR (0.57) SMN1; SMN2LMNAMAPTPOLBALPL
SCHEMBL3560273 0.87 CA12 (0.56) SMN1; SMN2LMNAMEN1KMT2APOLB
SCHEMBL3558946 0.86 KEAP1 (0.58) SMN1; SMN2LMNAMEN1KMT2AALOX12
SCHEMBL3553617 0.84 MEN1 (0.65) L3MBTL1SMN1; SMN2LMNAMEN1KMT2A
SCHEMBL4778244 0.84 MEN1 (0.53) L3MBTL1LMNAMEN1KMT2ATNF
SCHEMBL3558042 0.83 POLB (0.45) L3MBTL1SMN1; SMN2LMNAKMT2AMAPT
SCHEMBL3554982 0.83 TDP1 (0.59) SMN1; SMN2LMNAMEN1KMT2AMAPT
SCHEMBL3554396 0.83 ALDH1A1 (0.49) SMN1; SMN2LMNAMEN1KMT2AMAPT
SCHEMBL3560693 0.83 F2 (0.45) TNFNOD2NOD1POLBGAA

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 L3MBTL1 2080/4885SMN1; SMN2 4522/4885LMNA 2120/4885

“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.