SCHEMBL4075322

SCHEMBL4075322

CC(=O)Nc1ccc(S(=O)(=O)N(CCCl)CCCl)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.64
HTT P42858 4/20 0.64
KMT2A Q03164 3/20 0.64
MEN1 O00255 2/20 0.64
GAA P10253 2/20 0.55
LMNA P02545 2/20 0.55
TSHR P16473 1/20 0.54
CA1 P00915 3/20 0.53
CA12 O43570 2/20 0.53
CA9 Q16790 2/20 0.53
CA2 P00918 2/20 0.53
POLB P06746 2/20 0.53
ALDH1A1 P00352 3/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
CNR2 P34972 1/20 0.52
MMP1 P03956 1/20 0.51
MMP2 P08253 1/20 0.51
MMP9 P14780 1/20 0.51
MMP8 P22894 1/20 0.51
MMP13 P45452 1/20 0.51

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
SCHEMBL622483 0.86 HTT (0.65) MAPTHTTKMT2AMEN1GAA
SCHEMBL18763128 0.82 MAPT (0.76) MAPTHTTKMT2AMEN1GAA
SCHEMBL10119209 0.81 MAPT (0.67) MAPTHTTKMT2AMEN1GAA
SCHEMBL623427 0.78 MAPT (0.60) MAPTHTTKMT2AMEN1GAA
SCHEMBL8684509 0.78 ALDH1A1 (0.71) MAPTKMT2ACA1CA12CA9
SCHEMBL7570377 0.77 GAA (0.69) MAPTKMT2AMEN1GAALMNA
SCHEMBL27989014 0.77 CNR2 (0.50) MAPTKMT2AMEN1GAALMNA
SCHEMBL3633258 0.76 ALDH1A1 (0.65) MAPTHTTKMT2AMEN1GAA
SCHEMBL3498757 0.76 EGFR (0.58) MAPTHTTKMT2AMEN1LMNA
SCHEMBL398044 0.75 CNR2 (0.57) MAPTHTTGAALMNATSHR

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-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 MAPT 3741/4885HTT 4129/4885KMT2A 1872/4885
US-20050250729-A1 Novel adenosine A3 receptor agonists ADORA3, ADORA2A, ADORA1 MAPT 4748/4885HTT 3986/4885KMT2A 3314/4885

“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.