SCHEMBL19742690

SCHEMBL19742690

O=[N+]([O-])c1ccc(O)c(CCS)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 2/20 0.53
ALDH1A1 P00352 1/20 0.53
TP53 P04637 1/20 0.53
HPGD P15428 1/20 0.53
TSHR P16473 1/20 0.53
MAPK1 P28482 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
ERN1 O75460 1/20 0.53
GAA P10253 1/20 0.51
THRB P10828 1/20 0.51
CTSB P07858 1/20 0.51
NOX4 Q9NPH5 1/20 0.47
CYP1A2 P05177 1/20 0.45
APP P05067 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
PABPC1 P11940 1/20 0.43
DUSP3 P51452 1/20 0.43
PTPN5 P54829 1/20 0.43

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
SCHEMBL4653359 0.86 GPR35 (0.56) GPR35ALDH1A1TP53HPGDTSHR
SCHEMBL1470136 0.84 TSHR (0.55) GPR35ALDH1A1TP53HPGDTSHR
Bromide SCHEMBL4653447 0.84 GPR35 (0.55) GPR35ALDH1A1TP53HPGDTSHR
SCHEMBL27463698 0.83 SMN1; SMN2 (0.53) GPR35ALDH1A1TP53HPGDTSHR
SCHEMBL28013151 0.83 GPR35 (0.53) GPR35ALDH1A1TP53HPGDTSHR
SCHEMBL8709893 0.83 THRB (0.56) GPR35ALDH1A1TP53HPGDTSHR
SCHEMBL51277 0.82 GPR35 (0.60) GPR35ALDH1A1TP53HPGDTSHR
SCHEMBL216753 0.80 GPR35 (0.58) GPR35ALDH1A1TP53HPGDTSHR
SCHEMBL4231830 0.80 ALDH1A1 (0.58) GPR35ALDH1A1TP53HPGDTSHR
SCHEMBL7803748 0.80 ERN1 (0.54) GPR35ALDH1A1TP53HPGDTSHR

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 GPR35 1967/4885ALDH1A1 4009/4885TP53 296/4885
US-10227344-B2 CK2 inhibitors, compositions and methods thereof CSNK1A1, CSNK2A1, CSNK2A3 GPR35 1967/4885ALDH1A1 4009/4885TP53 296/4885

“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.