SCHEMBL2201248

SCHEMBL2201248

Cc1ccc(Cn2c(C(=O)O)c(CCCOc3cccc4ccccc34)c3ccccc32)cc1

nearest known ligand 0.88

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 15/20 0.88
MARK3 P27448 2/20 0.55
GSK3B P49841 2/20 0.55
CAMK2B Q13554 2/20 0.55
MARK2 Q7KZI7 2/20 0.55
MINK1 Q8N4C8 2/20 0.55
SRPK1 Q96SB4 2/20 0.55
HIPK2 Q9H2X6 2/20 0.55
CDC7 O00311 1/20 0.55
EEF2K O00418 1/20 0.55
DAPK3 O43293 1/20 0.55
MAP4K4 O95819 1/20 0.55
PAK4 O96013 1/20 0.55
RPS6KB1 P23443 1/20 0.55
AXL P30530 1/20 0.55
AKT2 P31751 1/20 0.55
CSNK1A1 P48729 1/20 0.55
MAPKAPK2 P49137 1/20 0.55
IRAK1 P51617 1/20 0.55
NEK2 P51955 1/20 0.55

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
SCHEMBL15622465 0.94 MCL1 (1.00) MCL1MARK3GSK3BCAMK2BMARK2
SCHEMBL2204297 0.92 MCL1 (0.88) MCL1MARK3GSK3BCAMK2BMARK2
SCHEMBL2203601 0.92 MCL1 (0.88) MCL1MARK3GSK3BCAMK2BMARK2
SCHEMBL2204548 0.90 MCL1 (0.85) MCL1MARK3GSK3BCAMK2BMARK2
SCHEMBL2202853 0.89 MCL1 (0.86) MCL1MARK3GSK3BCAMK2BMARK2
SCHEMBL2203360 0.87 MCL1 (0.72) MCL1MARK3GSK3BCAMK2BMARK2
SCHEMBL17044267 0.86 MCL1 (0.66) MCL1MARK3GSK3BCAMK2BMARK2
SCHEMBL2204955 0.86 MCL1 (0.85) MCL1MARK3GSK3BCAMK2BMARK2
SCHEMBL2205888 0.86 MCL1 (0.78) MCL1MARK3GSK3BCAMK2BMARK2
SCHEMBL2206754 0.85 MCL1 (0.64) MCL1MARK3GSK3BCAMK2BMARK2

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
EP-2134685-B1 7-NONSUBSTITUTED INDOLE DERIVATIVES AS MCL-1 INHIBITORS ABBVIE INC (US) 2015-09-02 EP claimed
US-20110263599-A1 7-NONSUBSTITUTED INDOLE MCL-1 INHIBITORS ABBOTT LABORATORIES 2011-10-27 US claimed
US-20090124616-A1 7-NONSUBSTITUTED INDOLE MCL-1 INHIBITORS ABBOTT LABORATORIES (US) 2009-05-14 US claimed
EP-2134685-B1 7-NONSUBSTITUTED INDOLE DERIVATIVES AS MCL-1 INHIBITORS ABBVIE INC (US) 2015-09-02 EP disclosed
US-8853209-B2 1-oxyalkyl-2-carboxy-7-nonsubstituted indole derivatives ABBVIE INC. (US) 2014-10-07 US disclosed
US-20110263599-A1 7-NONSUBSTITUTED INDOLE MCL-1 INHIBITORS ABBOTT LABORATORIES 2011-10-27 US disclosed
US-7981888-B2 1-oxyalkyl-2-carboxyl-7-nonsubstituted indole derivatives ABBOTT LABORATORIES (US) 2011-07-19 US disclosed
US-20090124616-A1 7-NONSUBSTITUTED INDOLE MCL-1 INHIBITORS ABBOTT LABORATORIES (US) 2009-05-14 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-20090124616-A1 7-NONSUBSTITUTED INDOLE MCL-1 INHIBITORS MCL1, BCL2L1, API5 MCL1 1/4885MARK3 2407/4885GSK3B 938/4885
US-20110263599-A1 7-NONSUBSTITUTED INDOLE MCL-1 INHIBITORS MCL1, BCL2L1, API5 MCL1 1/4885MARK3 2407/4885GSK3B 938/4885

“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.