SCHEMBL19742710

SCHEMBL19742710

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.41
HTT P42858 2/20 0.38
TP53 P04637 1/20 0.38
HCAR3 P49019 3/20 0.36
CYP1A2 P05177 1/20 0.36
PDE2A O00408 1/20 0.35
PDE5A O76074 1/20 0.35
CYP3A4 P08684 1/20 0.35
ALOX15 P16050 1/20 0.35
NFKB1 P19838 1/20 0.35
APEX1 P27695 1/20 0.35
PDE4A P27815 1/20 0.35
BLM P54132 1/20 0.35
PDE1B Q01064 1/20 0.35
PMP22 Q01453 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4D Q08499 1/20 0.35
PDE7A Q13946 1/20 0.35
PDE1C Q14123 1/20 0.35
PDE7B Q9NP56 1/20 0.35

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
SCHEMBL19742680 0.88 ALOX5 (0.39) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL19742420 0.84
SCHEMBL30279941 0.82 ALDH1A1 (0.38) ALDH1A1HTTTP53PDE2APDE5A
SCHEMBL19742726 0.81 ALDH1A1 (0.47) ALDH1A1HTTTP53HCAR3CYP1A2
SCHEMBL19742749 0.77 TBXA2R (0.39) ALDH1A1CYP1A2POLBITGA4ITGB7
SCHEMBL19742602 0.77 ALDH1A1 (0.39) ALDH1A1HTTTP53HCAR3CYP1A2
SCHEMBL19753973 0.76 HCAR3 (0.48) ALDH1A1HTTTP53HCAR3PDE2A
SCHEMBL19742532 0.76 CKS1B (0.41) ALDH1A1HTTMAPTPOLBSMN1; SMN2
SCHEMBL19742712 0.75 ALDH1A1 (0.41) ALDH1A1HTTTP53HCAR3CYP1A2
SCHEMBL19742603 0.73 EPHX1 (0.40) ALDH1A1MAPT

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 ALDH1A1 4009/4885HTT 3799/4885TP53 296/4885
US-10227344-B2 CK2 inhibitors, compositions and methods thereof CSNK1A1, CSNK2A1, CSNK2A3 ALDH1A1 4009/4885HTT 3799/4885TP53 296/4885

“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.