SCHEMBL3555442

SCHEMBL3555442

O=C(O)c1cccc(CCc2cccc(NS(=O)(=O)c3ccccc3[N+](=O)[O-])c2)c1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.59
AR P10275 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.52
GAA P10253 1/20 0.52
CYP19A1 P11511 1/20 0.51
SLC16A3 O15427 3/20 0.51
SLC25A1 P53007 1/20 0.51
HSD17B1 P14061 1/20 0.51
HSD17B2 P37059 1/20 0.51
NR1I2 O75469 1/20 0.50
ALKBH2 Q6NS38 1/20 0.50
ALKBH5 Q6P6C2 1/20 0.50
ALKBH3 Q96Q83 1/20 0.50
FTO Q9C0B1 1/20 0.50
HTT P42858 1/20 0.47
POLB P06746 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
ALDH1A1 P00352 1/20 0.47

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
SCHEMBL3555424 0.93 AR (0.57) L3MBTL1ARSMN1; SMN2GAACYP19A1
SCHEMBL3560108 0.93 L3MBTL1 (0.58) L3MBTL1ARSMN1; SMN2GAACYP19A1
SCHEMBL3554638 0.89 L3MBTL1 (0.56) L3MBTL1ARSMN1; SMN2GAACYP19A1
SCHEMBL3559407 0.86 SLC16A3 (0.70) L3MBTL1ARSMN1; SMN2CYP19A1SLC16A3
SCHEMBL3560333 0.84 PTK2B (0.60) SMN1; SMN2SLC16A3HSD17B1HSD17B2POLB
SCHEMBL3554654 0.83 SLC16A3 (0.63) L3MBTL1ARSMN1; SMN2CYP19A1SLC16A3
SCHEMBL3561271 0.81 SLC16A3 (0.74) SLC16A3NR1I2HTTKMT2AALDH1A1
SCHEMBL8269541 0.80 L3MBTL1 (0.65) L3MBTL1ARSMN1; SMN2GAACYP19A1
SCHEMBL3553555 0.80 HTR6 (0.67) SLC16A3POLBMEN1KMT2A
SCHEMBL4281895 0.79 L3MBTL1 (0.78) L3MBTL1SMN1; SMN2GAAHSD17B1HSD17B2

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 3412/4885SMN1; 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.