SCHEMBL19742680

SCHEMBL19742680

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.39
MAPT P10636 3/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 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
ITGA4 P13612 1/20 0.37
ITGB7 P26010 1/20 0.37
ALDH1A1 P00352 4/20 0.36
MEN1 O00255 1/20 0.35
CRHBP P24387 1/20 0.35
KMT2A Q03164 1/20 0.35
CRHR2 Q13324 1/20 0.35
GNRHR P30968 1/20 0.35
CYP19A1 P11511 2/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL19742710 0.88 ALDH1A1 (0.41) MAPTSMN1; SMN2ITGA4ITGB7ALDH1A1
SCHEMBL19742584 0.85 MAPK1 (0.31) MAPK1
SCHEMBL19742532 0.84 CKS1B (0.41) ALOX5MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL19742631 0.82 ALOX5 (0.38) ALOX5MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL19753984 0.81 ALOX5 (0.41) ALOX5MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL30279941 0.79 ALDH1A1 (0.38) RAB9AALDH1A1CYP19A1
SCHEMBL19742681 0.78 ITGA4 (0.36) ALOX5MAPTITGA4ITGB7ALDH1A1
SCHEMBL19753977 0.74 NQO2 (0.45) ALOX5MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL19753987 0.74 RAB9A (0.46) ALOX5MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL19753999 0.73 ALOX5 (0.42) ALOX5MAPTNPC1RAB9ASMN1; SMN2

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
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

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 4215/4885MAPT 543/4885NPC1 4261/4885
US-10227344-B2 CK2 inhibitors, compositions and methods thereof CSNK1A1, CSNK2A1, CSNK2A3 ALOX5 4215/4885MAPT 543/4885NPC1 4261/4885

“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.