SCHEMBL3555424

SCHEMBL3555424

O=C(O)c1cccc(CCc2ccc(NS(=O)(=O)c3ccccc3[N+](=O)[O-])cc2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.57
L3MBTL1 Q9Y468 2/20 0.53
SMN1; SMN2 Q16637 3/20 0.51
GAA P10253 1/20 0.51
POLB P06746 1/20 0.51
SLC16A3 O15427 3/20 0.50
CYP19A1 P11511 1/20 0.50
NR1I2 O75469 1/20 0.49
ALKBH2 Q6NS38 1/20 0.49
ALKBH5 Q6P6C2 1/20 0.49
ALKBH3 Q96Q83 1/20 0.49
FTO Q9C0B1 1/20 0.49
TBXA2R P21731 1/20 0.46
TBXAS1 P24557 1/20 0.46
ALDH1A1 P00352 1/20 0.46
PKM P14618 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
HSD17B1 P14061 1/20 0.46
HSD17B2 P37059 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
SCHEMBL3555442 0.93 L3MBTL1 (0.59) ARL3MBTL1SMN1; SMN2GAAPOLB
SCHEMBL3560108 0.89 L3MBTL1 (0.58) ARL3MBTL1SMN1; SMN2GAAPOLB
SCHEMBL3559407 0.85 SLC16A3 (0.70) ARL3MBTL1SMN1; SMN2POLBSLC16A3
SCHEMBL3560143 0.84 PTK2B (0.58) SMN1; SMN2SLC16A3NR1I2ALDH1A1MEN1
SCHEMBL3555679 0.84 AR (0.55) ARL3MBTL1SMN1; SMN2GAANR1I2
SCHEMBL3554654 0.82 SLC16A3 (0.63) ARL3MBTL1SMN1; SMN2POLBSLC16A3
SCHEMBL3559548 0.81 SLC16A3 (0.73) SLC16A3NR1I2ALDH1A1MEN1KMT2A
SCHEMBL3554638 0.81 L3MBTL1 (0.56) ARL3MBTL1SMN1; SMN2GAAPOLB
SCHEMBL3552742 0.81 MEN1 (0.63) POLBSLC16A3MEN1KMT2A
SCHEMBL5657592 0.80 AR (0.58) ARL3MBTL1SMN1; SMN2GAAPOLB

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 3412/4885L3MBTL1 2080/4885SMN1; 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.