SCHEMBL3563323

SCHEMBL3563323

COc1ccc(S(=O)(=O)Nc2ccc(CCc3cccc(C(=O)O)c3)cc2)cc1OC

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.62
CA12 O43570 1/20 0.59
CA9 Q16790 1/20 0.59
HDAC1 Q13547 2/20 0.57
KMT2A Q03164 4/20 0.57
MEN1 O00255 3/20 0.57
HDAC3 O15379 1/20 0.55
HDAC4 P56524 1/20 0.55
HDAC7 Q8WUI4 1/20 0.55
HDAC2 Q92769 1/20 0.55
HDAC10 Q969S8 1/20 0.55
HDAC11 Q96DB2 1/20 0.55
HDAC8 Q9BY41 1/20 0.55
HDAC6 Q9UBN7 1/20 0.55
HDAC9 Q9UKV0 1/20 0.55
HDAC5 Q9UQL6 1/20 0.55
LMNA P02545 2/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
WDR5 P61964 1/20 0.54
ALDH1A1 P00352 3/20 0.53

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
SCHEMBL3553801 0.93 HTT (0.61) HTTCA12CA9HDAC1KMT2A
SCHEMBL3558972 0.90 WDR5 (0.66) HTTCA12CA9HDAC1KMT2A
SCHEMBL3567099 0.89 CA12 (0.59) HTTCA12CA9HDAC1KMT2A
SCHEMBL3561254 0.87 ALDH1A1 (0.71) KMT2AMEN1SMN1; SMN2ALDH1A1TSHR
SCHEMBL3559667 0.86 AKR1C3 (0.65) HTTHDAC1KMT2AMEN1HDAC3
SCHEMBL3561649 0.85 SLC16A3 (0.73) HTTCA12CA9KMT2AMEN1
SCHEMBL3555826 0.84 CA12 (0.61) HTTCA12CA9HDAC1KMT2A
SCHEMBL3556522 0.84 SLC16A3 (0.58) CA12CA9HDAC1KMT2AMEN1
SCHEMBL3554579 0.83 L3MBTL1 (0.67) KMT2AMEN1LMNASMN1; SMN2ALDH1A1
SCHEMBL3555180 0.83 ALDH1A1 (0.57) HDAC1KMT2AMEN1HDAC4HDAC8

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 HTT 3739/4885CA12 2189/4885CA9 1020/4885

“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.