SCHEMBL3558720

SCHEMBL3558720

COc1ccc(OC)c(S(=O)(=O)Nc2cccc(CCc3ccc(C(=O)O)cc3)c2)c1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.61
SMN1; SMN2 Q16637 4/20 0.58
LMNA P02545 2/20 0.57
USP2 O75604 1/20 0.57
CPT1A P50416 1/20 0.56
CPT1B Q92523 1/20 0.56
ALDH1A1 P00352 5/20 0.55
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
FABP4 P15090 1/20 0.55
ALOX12 P18054 1/20 0.54
GAA P10253 1/20 0.53
NPSR1 Q6W5P4 1/20 0.52

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
SCHEMBL3556776 0.93 LMNA (0.64) L3MBTL1SMN1; SMN2LMNAUSP2ALDH1A1
SCHEMBL3559723 0.91 L3MBTL1 (0.73) L3MBTL1SMN1; SMN2LMNAALDH1A1MEN1
SCHEMBL3554579 0.90 L3MBTL1 (0.67) L3MBTL1SMN1; SMN2LMNAUSP2ALDH1A1
SCHEMBL3556994 0.85 MEN1 (0.61) L3MBTL1SMN1; SMN2LMNAUSP2ALDH1A1
SCHEMBL3561566 0.85 CYP19A1 (0.61) SMN1; SMN2LMNAALDH1A1MEN1KMT2A
SCHEMBL3560653 0.84 AKR1C3 (0.59) SMN1; SMN2LMNAALDH1A1MEN1KMT2A
SCHEMBL3567099 0.83 CA12 (0.59) SMN1; SMN2LMNAALDH1A1MEN1KMT2A
SCHEMBL3556006 0.83 MEN1 (0.64) L3MBTL1SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL3560262 0.80 MEN1 (0.63) L3MBTL1SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL28816760 0.80 ALPL (0.59) L3MBTL1SMN1; SMN2

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.