SCHEMBL4069616

SCHEMBL4069616

COc1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1

nearest known ligand 0.75

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PGR P06401 4/20 0.75
ALDH1A1 P00352 5/20 0.71
PLAU P00749 1/20 0.71
AR P10275 1/20 0.67
KMT2A Q03164 4/20 0.65
MEN1 O00255 2/20 0.65
L3MBTL1 Q9Y468 1/20 0.65
CYP19A1 P11511 1/20 0.59
HTR6 P50406 1/20 0.59
LMNA P02545 1/20 0.58
POLB P06746 1/20 0.58
TDP1 Q9NUW8 1/20 0.58

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
SCHEMBL12167777 0.89 PGR (0.92) PGRALDH1A1PLAUARKMT2A
SCHEMBL12338981 0.85 PGR (0.80) PGRALDH1A1PLAUARKMT2A
SCHEMBL13970848 0.85 ALDH1A1 (0.71) PGRALDH1A1ARKMT2AMEN1
SCHEMBL410787 0.85 LMNA (0.68) PGRALDH1A1PLAUKMT2AMEN1
SCHEMBL13265921 0.84 PLAU (0.56) PGRALDH1A1PLAUARKMT2A
SCHEMBL13265681 0.84 KMT2A (0.60) PGRALDH1A1PLAUARKMT2A
SCHEMBL4101284 0.83 PGR (0.78) PGRALDH1A1ARKMT2AMEN1
SCHEMBL5955469 0.83 PGR (0.63) PGRALDH1A1PLAUARKMT2A
SCHEMBL1791272 0.83 MEN1 (0.76) PGRALDH1A1PLAUKMT2AMEN1
SCHEMBL23928394 0.82 ALDH1A1 (0.71) PGRALDH1A1ARKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106928101-A Benzene sulfonamide IDO1 inhibitor, its preparation method and application 中国药科大学 2017-07-07 CN claimed
CN-106928101-A Benzene sulfonamide IDO1 inhibitor, its preparation method and application 中国药科大学 2017-07-07 CN 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-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
EP-1668020-A2 NOVEL ADENOSINE A SB 3 /SB RECEPTOR AGONISTS King Pharmaceuticals Research and Development Inc. (US) 2006-06-14 EP disclosed
US-20050250729-A1 Novel adenosine A3 receptor agonists KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. 2005-11-10 US disclosed
WO-2005028489-A2 NOVEL ADENOSINE A3 RECEPTOR AGONISTS KING PHARMACEUTICALS RESEARCH & DEVELOPMENT, INC. (US) 2005-03-31 WO 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 PGR 1104/4885ALDH1A1 207/4885PLAU 2301/4885
US-20050250729-A1 Novel adenosine A3 receptor agonists ADORA3, ADORA2A, ADORA1 PGR 1505/4885ALDH1A1 554/4885PLAU 1309/4885

“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.