SCHEMBL3556145

SCHEMBL3556145

CCC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(OCCOc3ccccc3CC(=O)O)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.49
MAPT P10636 1/20 0.49
KMT2A Q03164 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.47
LMNA P02545 1/20 0.47
HTT P42858 1/20 0.46
SQSTM1 Q13501 1/20 0.46
KEAP1 Q14145 1/20 0.46
NFE2L2 Q16236 1/20 0.46
AR P10275 3/20 0.45
PKM P14618 2/20 0.45
RECQL P46063 1/20 0.45
CACNA1B Q00975 2/20 0.45
POLB P06746 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
LIMK2 P53671 1/20 0.43
CASP1 P29466 1/20 0.43
CACNA1H O95180 1/20 0.42

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
SCHEMBL3551269 0.91 LMNA (0.50) MEN1MAPTKMT2ASMN1; SMN2LMNA
SCHEMBL3558265 0.87 AR (0.61) MEN1MAPTKMT2ASMN1; SMN2LMNA
SCHEMBL3563411 0.87 AR (0.54) MEN1MAPTKMT2ASMN1; SMN2LMNA
SCHEMBL3560145 0.87 MEN1 (0.51) MEN1MAPTKMT2ASMN1; SMN2LMNA
SCHEMBL3553720 0.86 MEN1 (0.53) MEN1MAPTKMT2ASMN1; SMN2LMNA
SCHEMBL3562939 0.86 AR (0.58) MEN1MAPTKMT2ASMN1; SMN2LMNA
SCHEMBL3560475 0.86 HDAC1 (0.55) MEN1MAPTKMT2ASMN1; SMN2LMNA
SCHEMBL3552400 0.85 AR (0.60) MEN1MAPTKMT2ASMN1; SMN2LMNA
SCHEMBL3558099 0.85 FABP1 (0.54) MEN1MAPTKMT2ASMN1; SMN2LMNA
SCHEMBL3557710 0.85 TDP1 (0.55) MEN1MAPTKMT2ASMN1; SMN2LMNA

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 2548/4885MAPT 4130/4885KMT2A 4045/4885

“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.