SCHEMBL3556954

SCHEMBL3556954

O=C(O)c1ccccc1CCCc1ccccc1NS(=O)(=O)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.56
TDP1 Q9NUW8 2/20 0.49
SLC25A1 P53007 1/20 0.49
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
MMP1 P03956 1/20 0.48
MMP2 P08253 1/20 0.48
MMP9 P14780 1/20 0.48
MMP8 P22894 1/20 0.48
MMP13 P45452 1/20 0.48
SLC10A6 Q3KNW5 1/20 0.47
NFKBIA P25963 2/20 0.47
RELA Q04206 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
MDM4 O15151 1/20 0.47
OPRK1 P41145 1/20 0.47
MDM2 Q00987 1/20 0.47
SLC40A1 Q9NP59 1/20 0.47
LMNA P02545 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
SCHEMBL3558229 0.97 PKM (0.55) PKMTDP1SLC25A1CA1CA2
SCHEMBL3556247 0.97 PKM (0.57) PKMTDP1SLC25A1CA1CA2
SCHEMBL3555674 0.86 SLC16A3 (0.60) PKMTDP1CA1CA2MMP1
SCHEMBL27791650 0.85 PKM (0.66) PKMTDP1SLC25A1CA1CA2
SCHEMBL3554654 0.85 SLC16A3 (0.63) PKMTDP1NFKBIARELAMEN1
SCHEMBL3566056 0.83 TSHR (0.55) MEN1KMT2ALMNAALDH1A1SLC16A3
SCHEMBL3555679 0.82 AR (0.55) PKMTDP1CA1CA2MMP1
SCHEMBL3560628 0.82 SLC16A3 (0.67) PKMTDP1CA1CA2MMP1
SCHEMBL3559407 0.82 SLC16A3 (0.70) PKMTDP1NFKBIARELAMEN1
SCHEMBL3552944 0.82 SLC16A3 (0.56) CA1CA2MMP1MMP2MMP9

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 PKM 990/4885TDP1 2267/4885SLC25A1 474/4885

“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.