SCHEMBL3560628

SCHEMBL3560628

O=C(O)c1ccc(CCc2ccccc2NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 8/20 0.67
PKM P14618 1/20 0.54
HDAC3 O15379 1/20 0.46
HDAC1 Q13547 1/20 0.46
NCOR2 Q9Y618 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
MMP1 P03956 1/20 0.46
MMP2 P08253 1/20 0.46
MMP9 P14780 1/20 0.46
MMP8 P22894 1/20 0.46
MMP13 P45452 1/20 0.46
SLC10A6 Q3KNW5 1/20 0.46
MEN1 O00255 1/20 0.46
MDM4 O15151 1/20 0.46
NFKBIA P25963 1/20 0.46
OPRK1 P41145 1/20 0.46
MDM2 Q00987 1/20 0.46
KMT2A Q03164 1/20 0.46
RELA Q04206 1/20 0.46

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
SCHEMBL3555674 0.95 SLC16A3 (0.60) SLC16A3PKMCA1CA2MMP1
SCHEMBL3559407 0.89 SLC16A3 (0.70) SLC16A3PKMMEN1MDM4NFKBIA
SCHEMBL3556247 0.85 PKM (0.57) SLC16A3PKMCA1CA2MMP1
SCHEMBL3553224 0.84 SLC16A3 (0.72) SLC16A3HDAC3HDAC1NCOR2
SCHEMBL3554654 0.83 SLC16A3 (0.63) SLC16A3PKMMEN1MDM4NFKBIA
SCHEMBL3556954 0.82 PKM (0.56) SLC16A3PKMCA1CA2MMP1
SCHEMBL3560108 0.82 L3MBTL1 (0.58) SLC16A3PKMGAACYP19A1ALKBH2
SCHEMBL3558229 0.81 PKM (0.55) SLC16A3PKMCA1CA2MMP1
SCHEMBL3555679 0.80 AR (0.55) PKMCA1CA2MMP1MMP2
SCHEMBL3558667 0.80 SLC16A3 (1.00) SLC16A3MEN1KMT2AALDH1A1

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 SLC16A3 425/4885PKM 990/4885HDAC3 3383/4885

“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.