Sugi Predict

Sugi Predict / Compounds / SCHEMBL19742532

SCHEMBL19742532

SCHEMBL19742532

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CKS1B P61024 1/20 0.41
▸ SKP1 P63208 1/20 0.41
▸ SKP2 Q13309 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.40
▸ ALOX5 P09917 1/20 0.39
▸ BRD4 O60885 1/20 0.39
▸ MAPT P10636 2/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ ITGA4 P13612 1/20 0.37
▸ ITGB7 P26010 1/20 0.37
▸ MMP1 P03956 3/20 0.37
▸ MMP2 P08253 3/20 0.37
▸ MMP9 P14780 3/20 0.37
▸ MMP8 P22894 3/20 0.37
▸ MMP13 P45452 3/20 0.37
▸ POLB P06746 2/20 0.36
▸ HTT P42858 1/20 0.36
▸ SUV39H2 Q9H5I1 2/20 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
SCHEMBL19742726 0.86 ALDH1A1 (0.47) ALDH1A1MAPTSMN1; SMN2POLBHTT
SCHEMBL19742780 0.85 ALOX5 (0.42) CKS1BSKP1SKP2ALDH1A1ALOX5
SCHEMBL24225928 0.85 ALDH1A1 (0.41) CKS1BSKP1SKP2ALDH1A1ALOX5
SCHEMBL29357394 0.85 ALOX5 (0.42) CKS1BSKP1SKP2ALDH1A1ALOX5
SCHEMBL19742538 0.85 CKS1B (0.42) CKS1BSKP1SKP2BRD4SUV39H2
SCHEMBL19742680 0.84 ALOX5 (0.39) ALDH1A1ALOX5MAPTNPC1RAB9A
SCHEMBL19753977 0.83 NQO2 (0.45) ALDH1A1ALOX5BRD4MAPTNPC1
SCHEMBL19742631 0.82 ALOX5 (0.38) ALDH1A1ALOX5BRD4MAPTNPC1
SCHEMBL15286136 0.80 SMN1; SMN2 (0.45) CKS1BSKP1SKP2ALDH1A1ALOX5
SCHEMBL19753987 0.80 RAB9A (0.46) ALDH1A1ALOX5BRD4MAPTNPC1

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
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
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 CKS1B 13/4885SKP1 130/4885SKP2 20/4885
US-10227344-B2 CK2 inhibitors, compositions and methods thereof CSNK1A1, CSNK2A1, CSNK2A3 CKS1B 13/4885SKP1 130/4885SKP2 20/4885

“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.