SCHEMBL19742638

SCHEMBL19742638

C[S+]([O-])Cc1cc(N)ccc1OCC(C)(C)NC(=O)O

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.40
SSTR4 P31391 12/20 0.35
CYP2C9 P11712 1/20 0.32
ALDH1A1 P00352 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32
KDM4C Q9H3R0 1/20 0.31
KDM4E B2RXH2 1/20 0.31
HTR2A P28223 1/20 0.31
BRD4 O60885 1/20 0.31

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
SCHEMBL19742749 0.83 TBXA2R (0.39) ALDH1A1PTGDR2KDM4E
SCHEMBL19742503 0.81 MAPK1 (0.41) MAPK1SSTR4CYP2C9PTGDR2KDM4C
SCHEMBL19742806 0.79 MAPK1 (0.36) MAPK1ALDH1A1KDM4EHTR2ABRD4
SCHEMBL19742420 0.76
SCHEMBL19742793 0.75 SSTR4 (0.37) MAPK1SSTR4PTGDR2
SCHEMBL19753986 0.74 CA12 (0.47) MAPK1BRD4
SCHEMBL27479899 0.71 PTGER1 (0.47) ALDH1A1KDM4E
SCHEMBL18260775 0.71 TDP1 (0.43) SSTR4KDM4E
SCHEMBL29357642 0.70 MAPK1 (0.40) MAPK1SSTR4KDM4E
SCHEMBL23405515 0.68 SSTR4 (0.49) SSTR4KDM4E

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 MAPK1 365/4885SSTR4 3188/4885CYP2C9 3122/4885
US-10227344-B2 CK2 inhibitors, compositions and methods thereof CSNK1A1, CSNK2A1, CSNK2A3 MAPK1 365/4885SSTR4 3188/4885CYP2C9 3122/4885

“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.