SCHEMBL19742453

SCHEMBL19742453

CC(NC(=O)O)c1ccc(N)cc1CS(C)(=O)=O

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
ALOX5 P09917 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
SLC9A1 P19634 2/20 0.33
ITGB1 P05556 1/20 0.33
ITGA5 P08648 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
MMP12 P39900 2/20 0.32
MMP13 P45452 2/20 0.32
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32
MMP3 P08254 1/20 0.32
MMP7 P09237 1/20 0.32
MMP9 P14780 1/20 0.32
NTSR1 P30989 1/20 0.32
SLC9A2 Q9UBY0 1/20 0.32

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
SCHEMBL19742454 1.00 ALDH1A1 (0.36) ALDH1A1ALOX5L3MBTL1SLC9A1ITGB1
SCHEMBL29356515 0.82 MAPT (0.41)
SCHEMBL19742760 0.78 ALOX5 (0.34) ALDH1A1ALOX5ITGB1ITGA5NPC1
SCHEMBL19742758 0.78 ALOX5 (0.34) ALDH1A1ALOX5ITGB1ITGA5NPC1
SCHEMBL19742761 0.78 ALOX5 (0.34) ALDH1A1ALOX5ITGB1ITGA5NPC1
SCHEMBL19742757 0.78 ALOX5 (0.34) ALDH1A1ALOX5ITGB1ITGA5NPC1
SCHEMBL19742536 0.74 EPHX2 (0.40) ALDH1A1L3MBTL1ITGB1ITGA5NPC1
SCHEMBL12505629 0.72 ALOX5 (0.35) ALDH1A1ALOX5ITGB1ITGA5NPC1
SCHEMBL19461280 0.71 GLA (0.42) ALOX5
SCHEMBL19742662 0.70 MTNR1A (0.38) L3MBTL1

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 ALDH1A1 4009/4885ALOX5 4215/4885L3MBTL1 3627/4885
US-10227344-B2 CK2 inhibitors, compositions and methods thereof CSNK1A1, CSNK2A1, CSNK2A3 ALDH1A1 4009/4885ALOX5 4215/4885L3MBTL1 3627/4885

“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.