SCHEMBL4158828

SCHEMBL4158828

CCOC(=O)c1[nH]c2c(-c3ccc(C(=O)OC)cc3C)cccc2c1CCCO

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.44
CYP4A11 Q02928 2/20 0.44
PRKCD Q05655 2/20 0.44
CAMK2B Q13554 2/20 0.44
CAMK2G Q13555 2/20 0.44
AURKB Q96GD4 2/20 0.44
CDC7 O00311 1/20 0.44
MARK3 P27448 1/20 0.44
AXL P30530 1/20 0.44
FRK P42685 1/20 0.44
BLK P51451 1/20 0.44
NEK4 P51957 1/20 0.44
MAP4K2 Q12851 1/20 0.44
CAMK2D Q13557 1/20 0.44
CDC42BPA Q5VT25 1/20 0.44
MARK2 Q7KZI7 1/20 0.44
TAOK1 Q7L7X3 1/20 0.44
PIM3 Q86V86 1/20 0.44
MINK1 Q8N4C8 1/20 0.44
HIPK4 Q8NE63 1/20 0.44

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
SCHEMBL4175093 0.84 MCL1 (0.44) PRKCDCAMK2BCAMK2GAURKBCDC7
SCHEMBL4168917 0.81 MCL1 (0.51) PRKCDCAMK2BCAMK2GAURKBCDC7
SCHEMBL4173637 0.78 MCL1 (0.71) PRKCDCAMK2BCAMK2GAURKBCDC7
SCHEMBL4171513 0.77 MCL1 (0.62) PRKCDCAMK2BCAMK2GAURKBCDC7
SCHEMBL28265675 0.76 HTR6 (0.51) CYP4F2CYP4A11PRKCDCAMK2BCAMK2G
SCHEMBL4175362 0.76 HTR6 (0.51) CYP4F2CYP4A11MCL1MAPTALDH1A1
SCHEMBL4154568 0.75 HTR6 (0.50) CYP4F2CYP4A11MCL1MAPTALDH1A1
SCHEMBL4157494 0.74 HTR6 (0.49) CYP4F2CYP4A11MCL1MAPTALDH1A1
SCHEMBL19635148 0.72 MCL1 (0.50) PRKCDCAMK2BCAMK2GMARK3AXL
SCHEMBL19635845 0.71 HTR6 (0.46) CYP4F2CYP4A11MAPTALDH1A1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3243814-B1 7-SUBSTITUTED INDOLE AS MCL-1 INHIBITORS ABBVIE INC (US) 2018-10-17 EP disclosed
EP-3243814-A1 7-SUBSTITUTED INDOLE AS MCL-1 INHIBITORS AbbVie Inc. (US) 2017-11-15 EP disclosed
EP-2134684-B1 7-SUBSTITUTED INDOLE AS MCL-1 INHIBITORS ABBVIE INC (US) 2017-08-02 EP disclosed
US-9359296-B2 7-substituted indole Mcl-1 inhibitors ABBVIE INC. (US) 2016-06-07 US disclosed
US-20150284328-A1 7-SUBSTITUTED INDOLE MCL-1 INHIBITORS ABBVIE INC (US) 2015-10-08 US disclosed
US-9035047-B2 7-substituted indole Mcl-1 inhibitors ABBVIE INC. (US) 2015-05-19 US disclosed
US-20140051683-A1 7-SUBSTITUTED INDOLE MCL-1 INHIBITORS ABBVIE INC. (US) 2014-02-20 US disclosed
US-8445679-B2 7-substituted indole MCL-1 inhibitors ABBVIE INC. (US) 2013-05-21 US disclosed
CN-101743224-A 7-substituted indole mcl-1 inhibitors ABBOTT LAB 2010-06-16 CN disclosed
EP-2134684-A2 7-SUBSTITUTED INDOLE MCL-1 INHIBITORS Abbott Laboratories (US) 2009-12-23 EP disclosed
US-20090054402-A1 7-SUBSTITUTED INDOLE MCL-1 INHIBITORS ABBOTT LABORATORIES (US) 2009-02-26 US disclosed
WO-2008131000-A2 7-SUBSTITUTED INDOLE MCL-1 INHIBITORS ABBOTT LABORATORIES (US) 2008-10-30 WO 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 (3 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-20140051683-A1 7-SUBSTITUTED INDOLE MCL-1 INHIBITORS MCL1, BCL2L1, API5 CYP4F2 4779/4885CYP4A11 4742/4885PRKCD 2091/4885
US-20150284328-A1 7-SUBSTITUTED INDOLE MCL-1 INHIBITORS MCL1, BCL2L1, API5 CYP4F2 4779/4885CYP4A11 4742/4885PRKCD 2091/4885
US-20090054402-A1 7-SUBSTITUTED INDOLE MCL-1 INHIBITORS MCL1, BCL2L1, API5 CYP4F2 4779/4885CYP4A11 4742/4885PRKCD 2091/4885

“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.