SCHEMBL3553470

SCHEMBL3553470

O=C(O)c1ccccc1CCc1ccccc1NS(=O)(=O)c1cccc2cccnc12

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.61
GAA P10253 1/20 0.61
MEN1 O00255 3/20 0.60
KMT2A Q03164 3/20 0.60
KCNA5 P22460 1/20 0.58
SLC40A1 Q9NP59 7/20 0.57
SLC16A3 O15427 4/20 0.56
TDP1 Q9NUW8 2/20 0.55
ALDH1A1 P00352 1/20 0.55
POLB P06746 1/20 0.55
NFKBIA P25963 1/20 0.52
RELA Q04206 1/20 0.52
SMN1; SMN2 Q16637 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
SCHEMBL3561152 0.96 MMP2 (0.59) MMP2GAAMEN1KMT2AKCNA5
SCHEMBL5072751 0.87 MEN1 (0.71) MMP2GAAMEN1KMT2AKCNA5
SCHEMBL3562540 0.87 SLC16A3 (0.73) MMP2GAAMEN1KMT2AKCNA5
SCHEMBL3561833 0.83 SLC16A3 (0.74) MEN1KMT2AKCNA5SLC16A3ALDH1A1
SCHEMBL3558973 0.80 SLC16A3 (0.69) MEN1KMT2AKCNA5SLC16A3ALDH1A1
SCHEMBL5074828 0.79 MEN1 (0.70) MMP2GAAMEN1KMT2AKCNA5
SCHEMBL7388562 0.79 MEN1 (0.70) MMP2GAAMEN1KMT2AKCNA5
SCHEMBL3553446 0.79 SLC16A3 (0.68) MEN1KMT2AKCNA5SLC16A3ALDH1A1
SCHEMBL3558537 0.78 TSHR (0.56) MEN1KMT2ASLC16A3ALDH1A1SMN1; SMN2
SCHEMBL3552944 0.78 SLC16A3 (0.56) MMP2MEN1KMT2ASLC16A3ALDH1A1

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 MMP2 1720/4885GAA 1191/4885MEN1 2548/4885

“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.