SCHEMBL22947017

SCHEMBL22947017

CC(=O)Nc1cc(-c2[nH]c([S+](C)[O-])nc2-c2ccc(F)cc2)ccn1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 20/20 0.63
GSK3B P49841 7/20 0.63
MAPK13 O15264 1/20 0.52
MAPK12 P53778 1/20 0.52
KCNH2 Q12809 1/20 0.52
MAPK11 Q15759 1/20 0.52
PDE4A P27815 1/20 0.51
PDE4B Q07343 1/20 0.51
PDE4C Q08493 1/20 0.51
PDE4D Q08499 1/20 0.51
CSNK1D P48730 1/20 0.50
GSK3A P49840 3/20 0.49
MAPK10 P53779 1/20 0.48

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
SCHEMBL4477347 0.77 MAPK14 (1.00) MAPK14GSK3BGSK3A
SCHEMBL29357806 0.77 MAPK14 (0.69) MAPK14MAPK13MAPK12KCNH2MAPK11
SCHEMBL2841705 0.77 MAPK14 (0.69) MAPK14MAPK13MAPK12KCNH2MAPK11
SCHEMBL2844566 0.75 MAPK14 (0.63) MAPK14MAPK13MAPK12KCNH2MAPK11
SCHEMBL1995900 0.72 TGFBR1 (0.60) MAPK14GSK3BMAPK13MAPK12MAPK11
SCHEMBL1992442 0.72 TGFBR1 (0.57) MAPK14GSK3BMAPK13MAPK12KCNH2
SCHEMBL2845948 0.72 MAPK14 (0.74) MAPK14MAPK13MAPK12MAPK11MAPK10
Hydrochloric Acid SCHEMBL6640025 0.72 TGFBR1 (0.59) MAPK14GSK3BMAPK13MAPK12MAPK11
SCHEMBL16105326 0.71 CSNK1D (0.61) MAPK14MAPK13MAPK12KCNH2MAPK11
SCHEMBL2840922 0.71 MAPK14 (0.75) MAPK14MAPK13MAPK12MAPK11MAPK10

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210031012-A1 TREATMENT OF A DISEASE OF THE GASTROINTESTINAL TRACT WITH A PDE4 INHIBITOR GLAS USA LLC 2021-02-04 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 (1 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-20210031012-A1 TREATMENT OF A DISEASE OF THE GASTROINTESTINAL TRACT WITH A PDE4 INHIBITOR PDE4A, PDE12, PDE4B MAPK14 2684/4885GSK3B 1280/4885MAPK13 1368/4885

“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.