SCHEMBL19742557

SCHEMBL19742557

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 1/20 0.35
ITGB7 P26010 1/20 0.35
KMT2A Q03164 1/20 0.32
MMP1 P03956 3/20 0.32
MMP2 P08253 3/20 0.32
MMP9 P14780 3/20 0.32
MMP8 P22894 3/20 0.32
MMP13 P45452 3/20 0.32
MAPT P10636 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
ALOX5 P09917 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
TP53 P04637 1/20 0.32
HTT P42858 1/20 0.32
ADRB2 P07550 1/20 0.32
ADRB1 P08588 1/20 0.32
ADRB3 P13945 1/20 0.32
ALDH1A1 P00352 2/20 0.31
NR1D1 P20393 1/20 0.31

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
SCHEMBL19742675 0.95 ITGA4 (0.35) ITGA4ITGB7KMT2AMMP1MMP2
SCHEMBL19742677 0.95 ITGA4 (0.35) ITGA4ITGB7KMT2AMMP1MMP2
SCHEMBL19742769 0.87
SCHEMBL19742657 0.81
SCHEMBL19742777 0.81 ITGA4 (0.36) ITGA4ITGB7KMT2AMAPTSMN1; SMN2
SCHEMBL19742681 0.70 ITGA4 (0.36) ITGA4ITGB7MAPTALOX5TP53
SCHEMBL28288989 0.68 ALDH1A1 (0.49) KMT2AMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL6681036 0.68 ALDH1A1 (0.45) ITGA4ITGB7KMT2AMAPTSMN1; SMN2
SCHEMBL6677398 0.68 ITGA4 (0.43) ITGA4ITGB7MMP1MMP2MMP9
SCHEMBL6676629 0.68 ALDH1A1 (0.45) ITGA4ITGB7KMT2AMMP1MMP2

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
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 ITGA4 1926/4885ITGB7 1052/4885KMT2A 772/4885
US-10227344-B2 CK2 inhibitors, compositions and methods thereof CSNK1A1, CSNK2A1, CSNK2A3 ITGA4 1926/4885ITGB7 1052/4885KMT2A 772/4885

“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.