SCHEMBL18152209

SCHEMBL18152209

COC(=O)c1cc(-c2ccc(COc3cccc(C(F)(F)F)c3)cc2)c(C(C)C)cc1NS(=O)(=O)c1ccc2ccccc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.44
BCL2L1 Q07817 1/20 0.43
MCL1 Q07820 1/20 0.43
ADAMTS4 O75173 4/20 0.43
MMP13 P45452 3/20 0.43
ADAMTS5 Q9UNA0 1/20 0.43
PPARG P37231 3/20 0.43
KAT6A Q92794 1/20 0.42
IDH2 P48735 2/20 0.41
PLAU P00749 3/20 0.41
PLAT P00750 1/20 0.41
ACLY P53396 1/20 0.41
PTGES O14684 1/20 0.41
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
GALK1 P51570 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ERBB2 P04626 1/20 0.40

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
SCHEMBL18152276 0.93 ACLY (0.47) KDM4EBCL2L1MCL1ADAMTS4MMP13
SCHEMBL18152036 0.92 ADAMTS4 (0.48) KDM4EBCL2L1MCL1ADAMTS4MMP13
SCHEMBL18164602 0.89 PLAU (0.42) KDM4EBCL2L1ADAMTS4MMP13KAT6A
SCHEMBL18151710 0.89 ADAMTS4 (0.45) KDM4EBCL2L1MCL1ADAMTS4MMP13
SCHEMBL18151728 0.88 BCL2L1 (0.49) KDM4EBCL2L1MCL1ADAMTS4MMP13
SCHEMBL18151924 0.86 ADAMTS4 (0.49) BCL2L1MCL1ADAMTS4MMP13ADAMTS5
SCHEMBL18152274 0.82 ADAMTS4 (0.47) KDM4EBCL2L1MCL1ADAMTS4MMP13
SCHEMBL18152275 0.82 MCL1 (0.55) KDM4EMCL1KAT6AIDH2PLAU
SCHEMBL18174146 0.81 GPR34 (0.41) BCL2L1MCL1ADAMTS4MMP13ADAMTS5
SCHEMBL18151780 0.81 PTGES (0.46) KDM4EMCL1PTGESMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3285583-B1 SMALL MOLECULE INHIBITORS OF MCL-1 AND USES THEREOF UNIV MICHIGAN REGENTS (US) 2021-03-17 EP disclosed
EP-3285583-B1 SMALL MOLECULE INHIBITORS OF MCL-1 AND USES THEREOF UNIV MICHIGAN REGENTS (US) 2021-03-17 EP disclosed
EP-3285583-A1 SMALL MOLECULE INHIBITORS OF MCL-1 AND USES THEREOF The Regents of The University of Michigan (US) 2018-02-28 EP disclosed
US-9884841-B2 Small molecule inhibitors of Mcl-1 and uses thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2018-02-06 US disclosed
US-9884841-B2 Small molecule inhibitors of Mcl-1 and uses thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2018-02-06 US disclosed
WO-2016172218-A1 SMALL MOLECULE INHIBITORS OF MCL-1 AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2016-10-27 WO disclosed
WO-2016172218-A1 SMALL MOLECULE INHIBITORS OF MCL-1 AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2016-10-27 WO disclosed
US-20160304485-A1 SMALL MOLECULE INHIBITORS OF MCL-1 AND USES THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-10-20 US disclosed
US-20160304485-A1 SMALL MOLECULE INHIBITORS OF MCL-1 AND USES THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-10-20 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-20160304485-A1 SMALL MOLECULE INHIBITORS OF MCL-1 AND USES THEREOF MCL1, BCL2L1, BCL2L11 KDM4E 1423/4885BCL2L1 2/4885MCL1 1/4885

“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.