SCHEMBL3545331

SCHEMBL3545331

CC(C)(C)OC(=O)C(CN)NN

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 7/20 0.40
POLB P06746 5/20 0.40
NPSR1 Q6W5P4 5/20 0.40
MAPT P10636 8/20 0.36
RECQL P46063 3/20 0.36
XBP1 P17861 1/20 0.36
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
ALDH1A1 P00352 2/20 0.35
ATM Q13315 3/20 0.34
ITGA4 P13612 1/20 0.34
ITGB7 P26010 1/20 0.34
MAPK1 P28482 3/20 0.33
DGAT1 O75907 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
GAA P10253 1/20 0.33
NOS1 P29475 2/20 0.33
CYP1A2 P05177 1/20 0.33

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
SCHEMBL743729 0.84 MAPT (0.35) TDP1POLBNPSR1MAPTRECQL
SCHEMBL31039778 0.82 TDP1 (0.36) TDP1POLBNPSR1MAPTRECQL
Hydrochloric Acid SCHEMBL27854513 0.82 CTSK (0.41) TDP1POLBNPSR1MAPTRECQL
SCHEMBL25256775 0.81 CYP1A2 (0.47) CA1CA2CA7CYP1A2CYP2C9
SCHEMBL20783244 0.81 CYP1A2 (0.47) CA1CA2CA7CYP1A2CYP2C9
SCHEMBL2393366 0.81 CYP1A2 (0.47) CA1CA2CA7CYP1A2CYP2C9
SCHEMBL27043289 0.81 TDP1 (0.35) TDP1POLBNPSR1MAPTRECQL
SCHEMBL16426525 0.81 GGT1 (0.39) TDP1POLBNPSR1MAPTKMT2A
Hydrochloric Acid SCHEMBL17686459 0.79 CYP1A2 (0.46) CA1CA2CA7CYP1A2CYP2C9
SCHEMBL29022125 0.79 CTSK (0.34) TDP1POLBNPSR1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7683078-B2 Arylsulfonamide derivatives as C-Jun-N-Terminal Kinases (JNK's) inhibitors LABORATOIRES SERONO S.A. (CH) 2010-03-23 US disclosed
US-20100029719-A1 ARYLSULFONAMIDE DERIVATIVES AS C-JUN-N-TERMINAL KINASES (JNK'S) INHIBITORS LABORATOIRES SERONO S.A. (CH) 2010-02-04 US disclosed
EP-1409483-B1 ARYLSULFONAMIDE DERIVATIVES AS C-JUN-N-TERMINAL KINASES (JNK'S) INHIBITORS SERONO LAB (CH) 2008-12-31 EP disclosed
EP-1409483-A1 ARYLSULFONAMIDE DERIVATIVES AS C-JUN-N-TERMINAL KINASES (JNK'S) INHIBITORS Applied Research Systems ARS Holding N.V. (AN) 2004-04-21 EP disclosed
WO-2003010164-A1 ARYLSULFONAMIDE DERIVATIVES AS C-JUN-N-TERMINAL KINASES (JNK'S) INHIBITORS APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2003-02-06 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 (1 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-20100029719-A1 ARYLSULFONAMIDE DERIVATIVES AS C-JUN-N-TERMINAL KINASES (JNK'S) INHIBITORS MAPK1, MAPK3, MAP3K2 TDP1 3249/4885POLB 4579/4885NPSR1 1048/4885

“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.