SCHEMBL3555826

SCHEMBL3555826

COc1ccc(S(=O)(=O)Nc2ccc(CCc3ccccc3C(=O)O)cc2)cc1OC

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.61
CA9 Q16790 1/20 0.61
HDAC1 Q13547 3/20 0.59
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
HTT P42858 3/20 0.54
LMNA P02545 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
HDAC4 P56524 2/20 0.52
HDAC3 O15379 1/20 0.52
HDAC7 Q8WUI4 1/20 0.52
HDAC2 Q92769 1/20 0.52
HDAC10 Q969S8 1/20 0.52
HDAC11 Q96DB2 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
HDAC9 Q9UKV0 1/20 0.52
HDAC5 Q9UQL6 1/20 0.52
GAA P10253 2/20 0.51
ALDH1A1 P00352 1/20 0.51

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
SCHEMBL3560651 0.90 CA12 (0.59) CA12CA9HDAC1MEN1KMT2A
SCHEMBL3559585 0.86 PGR (0.57) HDAC1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL3561138 0.86 SMN1; SMN2 (0.59) CA12CA9MEN1KMT2ALMNA
SCHEMBL3555833 0.85 PGR (0.60) HDAC1MEN1KMT2ALMNAHDAC4
SCHEMBL3558972 0.85 WDR5 (0.66) CA12CA9HDAC1MEN1KMT2A
SCHEMBL3563323 0.84 HTT (0.62) CA12CA9HDAC1MEN1KMT2A
SCHEMBL3557523 0.84 L3MBTL1 (0.66) MEN1KMT2ALMNASMN1; SMN2GAA
SCHEMBL3556577 0.83 HDAC1 (0.60) HDAC1MEN1KMT2AHDAC4HDAC8
SCHEMBL3559511 0.83 SLC16A3 (0.66) HDAC1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL3555671 0.82 METAP2 (0.57) HDAC1MEN1KMT2AHDAC4HDAC8

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 CA12 2189/4885CA9 1020/4885HDAC1 1894/4885

“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.