SCHEMBL3556006

SCHEMBL3556006

COc1ccc(OC)c(S(=O)(=O)Nc2ccccc2CCc2ccc(C(=O)O)cc2)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.64
KMT2A Q03164 3/20 0.64
SLC16A3 O15427 3/20 0.62
TDP1 Q9NUW8 1/20 0.56
ALDH1A1 P00352 5/20 0.55
MAPT P10636 2/20 0.55
HDAC3 O15379 2/20 0.55
NCOR2 Q9Y618 2/20 0.55
HDAC1 Q13547 1/20 0.55
SMN1; SMN2 Q16637 4/20 0.54
GAA P10253 2/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
CASP1 P29466 2/20 0.52
HSD17B10 Q99714 2/20 0.52
TSHR P16473 1/20 0.52
CASP7 P55210 1/20 0.52
KDM4E B2RXH2 1/20 0.52
TP53 P04637 1/20 0.52
POLB P06746 1/20 0.52
PKM P14618 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
SCHEMBL3560262 0.95 MEN1 (0.63) MEN1KMT2ASLC16A3TDP1ALDH1A1
SCHEMBL3558727 0.90 SLC16A3 (0.76) MEN1KMT2ASLC16A3TDP1ALDH1A1
SCHEMBL3559777 0.87 MEN1 (0.78) MEN1KMT2ASLC16A3TDP1ALDH1A1
SCHEMBL3560246 0.85 SLC16A3 (0.69) MEN1KMT2ASLC16A3TDP1ALDH1A1
SCHEMBL3559723 0.85 L3MBTL1 (0.73) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL3557587 0.84 HDAC3 (0.73) SLC16A3ALDH1A1HDAC3NCOR2HDAC1
SCHEMBL3563389 0.84 MEN1 (0.76) MEN1KMT2ASLC16A3TDP1ALDH1A1
SCHEMBL3556284 0.84 SLC16A3 (0.70) MEN1KMT2ASLC16A3ALDH1A1HDAC3
SCHEMBL3561861 0.84 SLC16A3 (0.70) SLC16A3HDAC3NCOR2HDAC1HDAC2
SCHEMBL3558720 0.83 L3MBTL1 (0.61) MEN1KMT2AALDH1A1SMN1; SMN2GAA

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 2548/4885KMT2A 4045/4885SLC16A3 425/4885

“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.