SCHEMBL19742780

SCHEMBL19742780

CN(CCNC(=O)OC(C)(C)C)c1ccc([N+](=O)[O-])cc1CS(C)(=O)=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.42
ALDH1A1 P00352 2/20 0.41
BRD4 O60885 1/20 0.40
CKS1B P61024 1/20 0.39
SKP1 P63208 1/20 0.39
SKP2 Q13309 1/20 0.39
MAPT P10636 2/20 0.38
POLB P06746 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CA12 O43570 3/20 0.38
CA1 P00915 3/20 0.38
CA2 P00918 3/20 0.38
CA9 Q16790 3/20 0.38
ITGA4 P13612 1/20 0.38
ITGB7 P26010 1/20 0.38
MMP1 P03956 2/20 0.37
MMP2 P08253 2/20 0.37
MMP9 P14780 2/20 0.37

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
SCHEMBL29357394 1.00 ALOX5 (0.42) ALOX5ALDH1A1BRD4CKS1BSKP1
SCHEMBL24225928 0.86 ALDH1A1 (0.41) ALOX5ALDH1A1BRD4CKS1BSKP1
SCHEMBL29352527 0.85 CKS1B (0.41) ALDH1A1BRD4CKS1BSKP1SKP2
SCHEMBL19742683 0.85 CKS1B (0.41) ALDH1A1BRD4CKS1BSKP1SKP2
SCHEMBL19742423 0.85 ALDH1A1 (0.48) ALDH1A1POLBHTTCYP19A1
SCHEMBL19742532 0.85 CKS1B (0.41) ALOX5ALDH1A1BRD4CKS1BSKP1
SCHEMBL29356913 0.82 ALOX5 (0.40) ALOX5ALDH1A1MAPTNPC1RAB9A
SCHEMBL19742587 0.82 ALOX5 (0.40) ALOX5ALDH1A1MAPTNPC1RAB9A
SCHEMBL15286136 0.81 SMN1; SMN2 (0.45) ALOX5ALDH1A1BRD4CKS1BSKP1
SCHEMBL30850514 0.78 MAPT (0.50) ALDH1A1BRD4CKS1BSKP1SKP2

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 6 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
US-20170369489-A1 CK2 INHIBITORS, COMPOSITIONS AND METHODS THEREOF POLARIS PHARMACEUTICALS 2017-12-28 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 ALOX5 4215/4885ALDH1A1 4009/4885BRD4 760/4885
US-10227344-B2 CK2 inhibitors, compositions and methods thereof CSNK1A1, CSNK2A1, CSNK2A3 ALOX5 4215/4885ALDH1A1 4009/4885BRD4 760/4885

“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.