SCHEMBL18152276

SCHEMBL18152276

CC(C)c1cc(NS(=O)(=O)c2ccc3ccccc3c2)c(C(=O)O)cc1-c1ccc(COc2cccc(C(F)(F)F)c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACLY P53396 3/20 0.47
MCL1 Q07820 2/20 0.46
BCL2L1 Q07817 1/20 0.46
ADAMTS4 O75173 4/20 0.45
MMP13 P45452 3/20 0.45
ADAMTS5 Q9UNA0 1/20 0.45
PPARG P37231 2/20 0.45
MEN1 O00255 1/20 0.44
GAA P10253 1/20 0.44
KMT2A Q03164 1/20 0.44
KAT6A Q92794 1/20 0.43
KDM4E B2RXH2 1/20 0.42
KDM1A O60341 1/20 0.42
IDH2 P48735 1/20 0.42

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
SCHEMBL18152209 0.93 KDM4E (0.44) ACLYMCL1BCL2L1ADAMTS4MMP13
SCHEMBL18151924 0.92 ADAMTS4 (0.49) ACLYMCL1BCL2L1ADAMTS4MMP13
SCHEMBL18152274 0.89 ADAMTS4 (0.47) ACLYMCL1BCL2L1ADAMTS4MMP13
SCHEMBL18152036 0.87 ADAMTS4 (0.48) ACLYMCL1BCL2L1ADAMTS4MMP13
SCHEMBL18152267 0.86 ACLY (0.55) ACLYMCL1BCL2L1ADAMTS4MMP13
SCHEMBL23097485 0.84 MCL1 (0.42) MCL1BCL2L1ADAMTS4MMP13ADAMTS5
SCHEMBL18164602 0.82 PLAU (0.42) BCL2L1ADAMTS4MMP13MEN1GAA
SCHEMBL18151710 0.82 ADAMTS4 (0.45) MCL1BCL2L1ADAMTS4MMP13ADAMTS5
SCHEMBL18174091 0.81 CTSV (0.48) MCL1ADAMTS4MMP13ADAMTS5
SCHEMBL18151707 0.80 MCL1 (0.64) ACLYMCL1BCL2L1MEN1GAA

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 ACLY 1272/4885MCL1 1/4885BCL2L1 2/4885

“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.