SCHEMBL19742782

SCHEMBL19742782

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

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
POLB P06746 2/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
MAPT P10636 1/20 0.38
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.37
NPC1 O15118 1/20 0.37
TP53 P04637 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL19742781 1.00 LMNA (0.38) LMNASMN1; SMN2POLBHTTKMT2A
SCHEMBL19742783 1.00 LMNA (0.38) LMNASMN1; SMN2POLBHTTKMT2A
SCHEMBL19742784 1.00 LMNA (0.38) LMNASMN1; SMN2POLBHTTKMT2A
SCHEMBL19753999 0.84 ALOX5 (0.42) SMN1; SMN2MAPTALDH1A1NPC1RAB9A
SCHEMBL19742735 0.81 LMNA (0.39) LMNASMN1; SMN2POLBHTTKMT2A
SCHEMBL19742739 0.81 LMNA (0.39) LMNASMN1; SMN2POLBHTTKMT2A
SCHEMBL19742760 0.81 ALOX5 (0.34) KMT2AMEN1MAPTALDH1A1CYP1A2
SCHEMBL19742761 0.81 ALOX5 (0.34) KMT2AMEN1MAPTALDH1A1CYP1A2
SCHEMBL19742757 0.81 ALOX5 (0.34) KMT2AMEN1MAPTALDH1A1CYP1A2
SCHEMBL19742758 0.81 ALOX5 (0.34) KMT2AMEN1MAPTALDH1A1CYP1A2

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
WO-2017223432-A1 CK2 INHIBITORS, COMPOSITIONS AND METHODS THEREOF POLARIS PHARMACEUTICALS (US) 2017-12-28 WO disclosed
US-20170369489-A1 CK2 INHIBITORS, COMPOSITIONS AND METHODS THEREOF POLARIS PHARMACEUTICALS 2017-12-28 US 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 2774/4885SMN1; SMN2 3359/4885POLB 1506/4885
US-10227344-B2 CK2 inhibitors, compositions and methods thereof CSNK1A1, CSNK2A1, CSNK2A3 LMNA 2774/4885SMN1; SMN2 3359/4885POLB 1506/4885

“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.