SCHEMBL4757991

SCHEMBL4757991

CN(C)CCCNS(=O)(=O)c1ccc(N=C=O)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.65
CA2 P00918 1/20 0.65
CA9 Q16790 1/20 0.65
ALOX15 P16050 1/20 0.63
NPSR1 Q6W5P4 2/20 0.51
TSHR P16473 1/20 0.51
SFRP1 Q8N474 1/20 0.47
TMEM97 Q5BJF2 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
HDAC4 P56524 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
ALDH1A1 P00352 7/20 0.46
KMT2A Q03164 3/20 0.46
GAA P10253 2/20 0.45
USP2 O75604 1/20 0.45
HTT P42858 3/20 0.43
KDM4E B2RXH2 1/20 0.43
S1PR2 O95136 1/20 0.43
LMNA P02545 1/20 0.43
GLA P06280 1/20 0.43

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
SCHEMBL4759857 0.86 USP2 (0.62) CA12CA2CA9ALOX15TSHR
SCHEMBL4068121 0.83 LMNA (0.50) CA12CA2CA9TSHRALDH1A1
SCHEMBL18553819 0.79 CA12 (1.00) CA12CA2CA9ALOX15NPSR1
SCHEMBL1667391 0.78 CA12 (0.74) CA12CA2CA9ALOX15NPSR1
SCHEMBL13901771 0.78 CYP3A4 (0.42) CA12CA2CA9NPSR1TSHR
SCHEMBL6034675 0.78 CA12 (0.74) CA12CA2CA9ALOX15NPSR1
SCHEMBL3322325 0.78 CA2 (0.74) CA12CA2CA9ALOX15NPSR1
SCHEMBL31374287 0.78 CA2 (0.74) CA12CA2CA9ALOX15NPSR1
SCHEMBL4075458 0.77 ALDH1A1 (0.58) CA12CA2CA9TSHRALDH1A1
SCHEMBL10816772 0.77 CA12 (0.73) CA12CA2CA9ALOX15NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7470698-B2 Adenosine A3 receptor modulators KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. (US) 2008-12-30 US disclosed
US-20070249641-A1 ADENOSINE A3 RECEPTOR MODULATORS KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. 2007-10-25 US disclosed
US-7271171-B2 Adenosine A3 receptor modulators KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. (US) 2007-09-18 US disclosed
US-20060040959-A1 Adenosine A3 receptor modulators KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. 2006-02-23 US disclosed
EP-1499614-A4 ADENOSINE A3 RECEPTOR MODULATORS KING PHARMACEUTICALS RES & DEV (US) 2005-08-24 EP disclosed
US-6921825-B2 Adenosine A3 receptor modulators KING PHARMACEUTICUALS RESEARCH & DEVELOPMENT, INC. (US) 2005-07-26 US disclosed
EP-1499614-A1 ADENOSINE A3 RECEPTOR MODULATORS King Pharmaceuticals Research and Development Inc. (US) 2005-01-26 EP disclosed
WO-2003095457-A1 ADENOSINE A3 RECEPTOR MODULATORS KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. (US) 2003-11-20 WO disclosed
US-20030144266-A1 Adenosine A3 receptor modulators KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. 2003-07-31 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 (3 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-20060040959-A1 Adenosine A3 receptor modulators ADORA3, ADORA2A, ADORA1 CA12 4213/4885CA2 2896/4885CA9 3438/4885
US-20070249641-A1 ADENOSINE A3 RECEPTOR MODULATORS ADORA3, ADORA2A, ADORA1 CA12 4213/4885CA2 2896/4885CA9 3438/4885
US-20030144266-A1 Adenosine A3 receptor modulators ADORA3, ADORA2A, ADORA1 CA12 4172/4885CA2 2541/4885CA9 3484/4885

“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.