SCHEMBL3555679

SCHEMBL3555679

O=C(O)c1ccccc1CCc1ccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.55
GAA P10253 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
TDP1 Q9NUW8 1/20 0.47
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
BCL2L1 Q07817 1/20 0.46
MCL1 Q07820 1/20 0.46
PKM P14618 2/20 0.46
F13A1 P00488 1/20 0.46
TGM2 P21980 1/20 0.46
NR1I2 O75469 1/20 0.46
HSPD1 P10809 1/20 0.45
PTPN2 P17706 1/20 0.45

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
SCHEMBL3554638 0.89 L3MBTL1 (0.56) ARGAASMN1; SMN2L3MBTL1TDP1
SCHEMBL3556247 0.85 PKM (0.57) GAAL3MBTL1TDP1CA1CA2
SCHEMBL3559119 0.84 PTK2B (0.50) GAASMN1; SMN2TDP1PTPN2PTPN1
SCHEMBL3555424 0.84 AR (0.57) ARGAASMN1; SMN2L3MBTL1PKM
SCHEMBL3556954 0.82 PKM (0.56) GAAL3MBTL1TDP1CA1CA2
SCHEMBL3558229 0.81 PKM (0.55) TDP1CA1CA2MMP1MMP2
SCHEMBL31661743 0.81 AR (0.58) ARGAASMN1; SMN2L3MBTL1TDP1
SCHEMBL5657592 0.81 AR (0.58) ARGAASMN1; SMN2L3MBTL1TDP1
SCHEMBL3560628 0.80 SLC16A3 (0.67) ARGAATDP1CA1CA2
SCHEMBL3562058 0.80 SLC16A3 (0.66) BCL2L1MCL1NR1I2PTPN2PTPN1

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 3412/4885GAA 1191/4885SMN1; SMN2 4522/4885

“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.