SCHEMBL4069902

SCHEMBL4069902

COc1ccc(NS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.79
SMN1; SMN2 Q16637 3/20 0.79
IDO1 P14902 1/20 0.74
MAPK1 P28482 3/20 0.68
MEN1 O00255 3/20 0.68
KMT2A Q03164 3/20 0.68
ALOX15 P16050 1/20 0.68
HTT P42858 1/20 0.68
GAA P10253 2/20 0.68
PPIA P62937 1/20 0.65
ALDH1A1 P00352 1/20 0.65
GFER P55789 1/20 0.65

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
SCHEMBL790294 0.87 GAA (0.86) LMNASMN1; SMN2MAPK1MEN1KMT2A
SCHEMBL13728829 0.86 IDO1 (0.71) LMNASMN1; SMN2IDO1MEN1KMT2A
SCHEMBL4090549 0.85 MAPT (0.70) LMNASMN1; SMN2MAPK1MEN1KMT2A
SCHEMBL12010877 0.84 PGR (0.70) LMNASMN1; SMN2MAPK1MEN1KMT2A
SCHEMBL27267778 0.83 SMN1; SMN2 (0.73) LMNASMN1; SMN2IDO1MEN1KMT2A
SCHEMBL171415 0.83 SMN1; SMN2 (0.73) LMNASMN1; SMN2IDO1MEN1KMT2A
SCHEMBL5955391 0.83 LMNA (0.71) LMNASMN1; SMN2IDO1MAPK1MEN1
SCHEMBL9365750 0.83 PKM (0.73) LMNASMN1; SMN2IDO1MAPK1MEN1
SCHEMBL3402411 0.83 MEN1 (0.91) IDO1MAPK1MEN1KMT2AGAA
SCHEMBL6301477 0.83 GAA (0.73) LMNASMN1; SMN2MAPK1MEN1KMT2A

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090233878-A1 NOVEL ADENOSINE A3 RECEPTOR AGONISTS CREDIT SUISSE AG 2009-09-17 US disclosed
US-20090233878-A1 NOVEL ADENOSINE A3 RECEPTOR AGONISTS CREDIT SUISSE AG 2009-09-17 US disclosed
US-20090233878-A1 NOVEL ADENOSINE A3 RECEPTOR AGONISTS CREDIT SUISSE AG 2009-09-17 US disclosed
US-7511133-B2 Adenosine A3 receptor agonists KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. (US) 2009-03-31 US disclosed
US-7511133-B2 Adenosine A3 receptor agonists KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. (US) 2009-03-31 US disclosed
US-7511133-B2 Adenosine A3 receptor agonists KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. (US) 2009-03-31 US disclosed
US-20050250729-A1 Novel adenosine A3 receptor agonists KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. 2005-11-10 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 (2 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-20090233878-A1 NOVEL ADENOSINE A3 RECEPTOR AGONISTS ADORA3, ADORA1, ADORA2A LMNA 3472/4885SMN1; SMN2 3431/4885IDO1 477/4885
US-20050250729-A1 Novel adenosine A3 receptor agonists ADORA3, ADORA2A, ADORA1 LMNA 4090/4885SMN1; SMN2 2771/4885IDO1 2479/4885

“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.