SCHEMBL4759857

SCHEMBL4759857

CCN(CC)CCCNS(=O)(=O)c1ccc(N=C=O)cc1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.62
SIGMAR1 Q99720 3/20 0.55
ALDH1A1 P00352 1/20 0.48
MAPK1 P28482 1/20 0.48
GFER P55789 1/20 0.48
CA12 O43570 1/20 0.48
CA2 P00918 1/20 0.48
CA9 Q16790 1/20 0.48
ALOX15 P16050 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.45
L3MBTL3 Q96JM7 1/20 0.44
KMT2A Q03164 1/20 0.43
PDK1 Q15118 1/20 0.43
PDK2 Q15119 1/20 0.43
PDK3 Q15120 1/20 0.43
PDK4 Q16654 1/20 0.43
TMEM97 Q5BJF2 1/20 0.43
TSHR P16473 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL4757991 0.86 CA12 (0.65) USP2SIGMAR1ALDH1A1CA12CA2
SCHEMBL4068121 0.83 LMNA (0.50) ALDH1A1MAPK1CA12CA2CA9
SCHEMBL3322300 0.79 USP2 (0.70) USP2SIGMAR1ALDH1A1MAPK1GFER
SCHEMBL9492210 0.79 USP2 (0.70) USP2SIGMAR1ALDH1A1MAPK1GFER
SCHEMBL16359721 0.79 USP2 (0.69) USP2SIGMAR1ALDH1A1MAPK1GFER
SCHEMBL4075458 0.78 ALDH1A1 (0.58) ALDH1A1MAPK1CA12CA2CA9
SCHEMBL6295282 0.76 USP2 (0.66) USP2SIGMAR1ALDH1A1MAPK1GFER
SCHEMBL13901771 0.76 CYP3A4 (0.42) ALDH1A1CA12CA2CA9SMN1; SMN2
SCHEMBL7042796 0.76 USP2 (0.65) USP2SIGMAR1ALDH1A1MAPK1GFER
SCHEMBL3322296 0.76 USP2 (0.61) USP2SIGMAR1ALDH1A1MAPK1GFER

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 USP2 4407/4885SIGMAR1 550/4885ALDH1A1 549/4885
US-20070249641-A1 ADENOSINE A3 RECEPTOR MODULATORS ADORA3, ADORA2A, ADORA1 USP2 4407/4885SIGMAR1 550/4885ALDH1A1 549/4885
US-20030144266-A1 Adenosine A3 receptor modulators ADORA3, ADORA2A, ADORA1 USP2 4295/4885SIGMAR1 432/4885ALDH1A1 620/4885

“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.