SCHEMBL19742758

SCHEMBL19742758

C[C@H](NC(=O)O)c1ccc(N)cc1C[S+](C)[O-]

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.34
ALDH1A1 P00352 4/20 0.32
ITGB1 P05556 2/20 0.32
ITGA5 P08648 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
SRC P12931 1/20 0.31
NTSR1 P30989 1/20 0.31
CYP2C9 P11712 2/20 0.30
CYP2C19 P33261 2/20 0.30
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
TNF P01375 1/20 0.30
CYP3A4 P08684 1/20 0.30
HSPD1 P10809 1/20 0.30
THRB P10828 1/20 0.30
HPGD P15428 1/20 0.30
ALOX15 P16050 1/20 0.30
CASP1 P29466 1/20 0.30
PTGS2 P35354 1/20 0.30

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
SCHEMBL19742757 1.00 ALOX5 (0.34) ALOX5ALDH1A1ITGB1ITGA5NPC1
SCHEMBL19742761 1.00 ALOX5 (0.34) ALOX5ALDH1A1ITGB1ITGA5NPC1
SCHEMBL19742760 1.00 ALOX5 (0.34) ALOX5ALDH1A1ITGB1ITGA5NPC1
SCHEMBL19753997 0.83 CA2 (0.36) KDM4EHPGDKMT2AMAPT
SCHEMBL19742784 0.81 LMNA (0.38) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL19742781 0.81 LMNA (0.38) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL19742454 0.78 ALDH1A1 (0.36) ALOX5ALDH1A1ITGB1ITGA5NPC1
SCHEMBL19742453 0.78 ALDH1A1 (0.36) ALOX5ALDH1A1ITGB1ITGA5NPC1
SCHEMBL30279910 0.76 ALOX5 (0.31) ALOX5ALDH1A1KDM4EMEN1HPGD
SCHEMBL30279896 0.72 MTNR1A (0.33) ALDH1A1CYP2C9CYP2C19KDM4EMEN1

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 ALOX5 4215/4885ALDH1A1 4009/4885ITGB1 1567/4885
US-10227344-B2 CK2 inhibitors, compositions and methods thereof CSNK1A1, CSNK2A1, CSNK2A3 ALOX5 4215/4885ALDH1A1 4009/4885ITGB1 1567/4885

“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.