SCHEMBL3553907

SCHEMBL3553907

O=C(O)Cc1ccccc1OCCOc1ccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.61
LMNA P02545 1/20 0.50
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
USP2 O75604 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
GAA P10253 1/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
MMP2 P08253 3/20 0.43
MMP1 P03956 2/20 0.43
MMP9 P14780 2/20 0.43
MMP13 P45452 2/20 0.43
MMP3 P08254 1/20 0.43
MMP12 P39900 1/20 0.43
MMP14 P50281 1/20 0.43
NR1I2 O75469 1/20 0.42
PKM P14618 1/20 0.42
HIF1A Q16665 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
SCHEMBL3554421 0.90 AR (0.59) ARLMNAKMT2AMEN1USP2
SCHEMBL5163851 0.87 LMNA (0.48) ARLMNAKMT2AMEN1USP2
SCHEMBL3555559 0.86 AR (0.64) ARKMT2AMEN1USP2SMN1; SMN2
SCHEMBL3562548 0.83 AR (0.69) ARKMT2AMEN1USP2SMN1; SMN2
SCHEMBL3563411 0.82 AR (0.54) ARLMNAKMT2AMEN1SMN1; SMN2
SCHEMBL3561911 0.81 SLC22A12 (0.44) ARL3MBTL1MMP2MMP1MMP9
SCHEMBL3563514 0.81 SLC22A12 (0.50) KMT2AMEN1MMP2MMP1MMP9
SCHEMBL3556589 0.81 ALPL (0.47) MMP2MMP1MMP9MMP13MMP3
SCHEMBL3563703 0.81 MEN1 (0.55) KMT2AMEN1GAANPC1RAB9A
SCHEMBL3558099 0.81 FABP1 (0.54) ARLMNAKMT2AMEN1SMN1; SMN2

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 AR 3412/4885LMNA 2120/4885KMT2A 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.