SCHEMBL19742681

SCHEMBL19742681

CC(CN(C)c1ccc([N+](=O)[O-])cc1C[S+](C)[O-])N(C)C(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 1/20 0.36
ITGB7 P26010 1/20 0.36
ALDH1A1 P00352 3/20 0.35
AURKA O14965 1/20 0.35
RPS6KB1 P23443 1/20 0.35
CYP19A1 P11511 5/20 0.35
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
ALOX5 P09917 1/20 0.33
TP53 P04637 1/20 0.33
HTT P42858 1/20 0.33
MAOB P27338 1/20 0.32
GAA P10253 1/20 0.32

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
SCHEMBL19742712 0.86 ALDH1A1 (0.41) ALDH1A1CYP19A1TP53HTTMAOB
SCHEMBL19742532 0.78 CKS1B (0.41) ITGA4ITGB7ALDH1A1MAPTALOX5
SCHEMBL19742680 0.78 ALOX5 (0.39) ITGA4ITGB7ALDH1A1CYP19A1MAPT
SCHEMBL19742631 0.76 ALOX5 (0.38) ITGA4ITGB7ALDH1A1MAPTALOX5
SCHEMBL6676364 0.74 TP53 (0.43) ITGA4ITGB7ALDH1A1CYP19A1LMNA
SCHEMBL30279941 0.74 ALDH1A1 (0.38) ALDH1A1CYP19A1LMNATP53HTT
SCHEMBL19742710 0.73 ALDH1A1 (0.41) ITGA4ITGB7ALDH1A1MAPTTP53
SCHEMBL6681796 0.72 ALDH1A1 (0.49) ITGA4ITGB7ALDH1A1CYP19A1LMNA
SCHEMBL19753973 0.72 HCAR3 (0.48) ALDH1A1CYP19A1MAPTTP53HTT
SCHEMBL19742675 0.72 ITGA4 (0.35) ITGA4ITGB7ALDH1A1AURKARPS6KB1

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
EP-3474855-B1 CK2 INHIBITORS, COMPOSITIONS AND METHODS THEREOF POLARIS PHARMACEUTICALS INC (US) 2022-01-26 EP disclosed
EP-3474855-A1 CK2 INHIBITORS, COMPOSITIONS AND METHODS THEREOF Polaris Pharmaceuticals, Inc. (US) 2019-05-01 EP disclosed
US-10227344-B2 CK2 inhibitors, compositions and methods thereof POLARIS PHARMACEUTICALS, INC. (US) 2019-03-12 US disclosed
WO-2017223432-A1 CK2 INHIBITORS, COMPOSITIONS AND METHODS THEREOF POLARIS PHARMACEUTICALS (US) 2017-12-28 WO disclosed
US-20170369489-A1 CK2 INHIBITORS, COMPOSITIONS AND METHODS THEREOF POLARIS PHARMACEUTICALS 2017-12-28 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 (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-20170369489-A1 CK2 INHIBITORS, COMPOSITIONS AND METHODS THEREOF CSNK1A1, CSNK2A1, CSNK2A3 ITGA4 1926/4885ITGB7 1052/4885ALDH1A1 4009/4885
US-10227344-B2 CK2 inhibitors, compositions and methods thereof CSNK1A1, CSNK2A1, CSNK2A3 ITGA4 1926/4885ITGB7 1052/4885ALDH1A1 4009/4885

“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.