SCHEMBL508761

SCHEMBL508761

COc1ccc(CN(C(=O)c2cnc(Nc3ccc(/C=C/S(=O)(=O)c4ccccc4)cc3)s2)c2ccc(Cl)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 3/20 0.45
MAPK12 P53778 3/20 0.45
MAPK11 Q15759 3/20 0.45
MAPK14 Q16539 3/20 0.45
SMN1; SMN2 Q16637 5/20 0.43
TP53 P04637 3/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 2/20 0.42
TRPM8 Q7Z2W7 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
BCL2A1 Q16548 2/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
NFE2L2 Q16236 2/20 0.38
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38

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
SCHEMBL508762 1.00 MAPK13 (0.45) MAPK13MAPK12MAPK11MAPK14SMN1; SMN2
SCHEMBL508769 0.91 MAPK13 (0.50) MAPK13MAPK12MAPK11MAPK14SMN1; SMN2
SCHEMBL508768 0.91 MAPK13 (0.50) MAPK13MAPK12MAPK11MAPK14SMN1; SMN2
SCHEMBL509598 0.85 MAPK13 (0.48) MAPK13MAPK12MAPK11MAPK14SMN1; SMN2
SCHEMBL508789 0.82 MAPK13 (0.49) MAPK13MAPK12MAPK11MAPK14SMN1; SMN2
SCHEMBL13363657 0.82 MAPK13 (0.49) MAPK13MAPK12MAPK11MAPK14SMN1; SMN2
SCHEMBL508061 0.77 MAPT (0.51) MAPK13MAPK12MAPK11MAPK14SMN1; SMN2
SCHEMBL508060 0.77 MAPT (0.51) MAPK13MAPK12MAPK11MAPK14SMN1; SMN2
SCHEMBL10151623 0.75 TRPM8 (0.46) MAPTTRPM8MEN1KMT2ANPC1
SCHEMBL508843 0.74 MAPK13 (0.40) MAPK13MAPK12MAPK11MAPK14SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120028981-A1 Kinase Knockdown Via Electrophilically Enhanced Inhibitors PRINCIPIA BIOPHARMA INC. (US) 2012-02-02 US disclosed
US-20120028981-A1 Kinase Knockdown Via Electrophilically Enhanced Inhibitors PRINCIPIA BIOPHARMA INC. (US) 2012-02-02 US disclosed
US-20120028981-A1 Kinase Knockdown Via Electrophilically Enhanced Inhibitors PRINCIPIA BIOPHARMA INC. (US) 2012-02-02 US disclosed
WO-2010054107-A2 KINASE KNOCKDOWN VIA ELECTROPHILICALLY ENHANCED INHIBITORS PRINCIPIA BIOPHARMA INC. (US) 2010-05-14 WO disclosed
WO-2010054107-A2 KINASE KNOCKDOWN VIA ELECTROPHILICALLY ENHANCED INHIBITORS PRINCIPIA BIOPHARMA INC. (US) 2010-05-14 WO disclosed
US-20100113520-A1 KINASE KNOCKDOWN VIA ELECTROPHILICALLY ENHANCED INHIBITORS PRINCIPIA BIOPHARMA, INC. (US) 2010-05-06 US disclosed
US-20100113520-A1 KINASE KNOCKDOWN VIA ELECTROPHILICALLY ENHANCED INHIBITORS PRINCIPIA BIOPHARMA, INC. (US) 2010-05-06 US disclosed
US-20100113520-A1 KINASE KNOCKDOWN VIA ELECTROPHILICALLY ENHANCED INHIBITORS PRINCIPIA BIOPHARMA, INC. (US) 2010-05-06 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-20120028981-A1 Kinase Knockdown Via Electrophilically Enhanced Inhibitors MAP3K20, MAP3K6, MAP3K19 MAPK13 130/4885MAPK12 286/4885MAPK11 284/4885
US-20100113520-A1 KINASE KNOCKDOWN VIA ELECTROPHILICALLY ENHANCED INHIBITORS MAP3K20, MAP3K6, MAP3K19 MAPK13 130/4885MAPK12 286/4885MAPK11 284/4885

“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.