SCHEMBL3554638

SCHEMBL3554638

O=C(O)c1ccccc1CCc1cccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.56
AR P10275 1/20 0.50
GAA P10253 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
CYP19A1 P11511 1/20 0.48
NR1I2 O75469 1/20 0.48
SLC16A3 O15427 1/20 0.46
HTT P42858 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
PKM P14618 2/20 0.44
HSD17B1 P14061 1/20 0.44
HSD17B2 P37059 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
ABCG2 Q9UNQ0 1/20 0.44
HTR6 P50406 1/20 0.44
SLC25A1 P53007 1/20 0.44
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
MMP1 P03956 1/20 0.43
MMP2 P08253 1/20 0.43

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
SCHEMBL3555679 0.89 AR (0.55) L3MBTL1ARGAASMN1; SMN2NR1I2
SCHEMBL3555442 0.89 L3MBTL1 (0.59) L3MBTL1ARGAASMN1; SMN2CYP19A1
SCHEMBL3560108 0.85 L3MBTL1 (0.58) L3MBTL1ARGAASMN1; SMN2CYP19A1
SCHEMBL3554621 0.85 PTK2B (0.50) SMN1; SMN2NR1I2SLC16A3HTR6
SCHEMBL3556247 0.83 PKM (0.57) L3MBTL1GAACYP19A1SLC16A3HTT
SCHEMBL3563988 0.82 SLC16A3 (0.67) NR1I2SLC16A3HTT
SCHEMBL3559407 0.82 SLC16A3 (0.70) L3MBTL1ARSMN1; SMN2CYP19A1SLC16A3
SCHEMBL3561338 0.81 HTR6 (0.62) SLC16A3HTR6POLB
SCHEMBL3555424 0.81 AR (0.57) L3MBTL1ARGAASMN1; SMN2CYP19A1
SCHEMBL3556737 0.80 SLC16A3 (0.53) SLC16A3HTR6

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 L3MBTL1 2080/4885AR 3412/4885GAA 1191/4885

“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.