SCHEMBL19742573

SCHEMBL19742573

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

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.33
ALDH1A1 P00352 2/20 0.33
SLC22A2 O15244 1/20 0.33
SLC22A1 O15245 1/20 0.33
TSHR P16473 1/20 0.33
ACHE P22303 1/20 0.33
MAPK1 P28482 1/20 0.33
CYP2C19 P33261 1/20 0.33
HCAR3 P49019 1/20 0.32
BLM P54132 1/20 0.32
PMP22 Q01453 1/20 0.32
MTNR1A P48039 1/20 0.30
MTNR1B P49286 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
SCHEMBL19742538 0.85 CKS1B (0.42)
SCHEMBL19742593 0.84 HCAR3 (0.34) ALDH1A1ACHEHCAR3
SCHEMBL19742726 0.83 ALDH1A1 (0.47) ALDH1A1HCAR3BLMPMP22
SCHEMBL19742799 0.81 PPIB (0.38) LMNAALDH1A1
SCHEMBL19742636 0.81 CYP19A1 (0.34) LMNAALDH1A1SLC22A2SLC22A1TSHR
SCHEMBL19753974 0.79 HCAR3 (0.37) ACHEHCAR3
SCHEMBL19742420 0.79
SCHEMBL30279896 0.79 MTNR1A (0.33) ALDH1A1TSHRCYP2C19MTNR1AMTNR1B
SCHEMBL19742597 0.79 MTNR1A (0.33) ALDH1A1TSHRCYP2C19MTNR1AMTNR1B
SCHEMBL19742596 0.78 PHLPP2 (0.34) TSHRBLM

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 LMNA 2774/4885ALDH1A1 4009/4885SLC22A2 4432/4885
US-10227344-B2 CK2 inhibitors, compositions and methods thereof CSNK1A1, CSNK2A1, CSNK2A3 LMNA 2774/4885ALDH1A1 4009/4885SLC22A2 4432/4885

“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.