SCHEMBL18152274

SCHEMBL18152274

CC(C)c1cc(NS(=O)(=O)c2ccc(Oc3ccc(F)cc3)cc2)c(C(=O)O)cc1-c1ccc(COc2cccc(C(F)(F)F)c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADAMTS4 O75173 5/20 0.47
MMP13 P45452 2/20 0.47
ADAMTS5 Q9UNA0 1/20 0.47
MCL1 Q07820 3/20 0.44
BCL2L1 Q07817 2/20 0.44
KDM1A O60341 1/20 0.43
KDM4E B2RXH2 1/20 0.43
METAP2 P50579 1/20 0.42
ERBB2 P04626 1/20 0.42
ERBB4 Q15303 1/20 0.42
ACLY P53396 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
SCHEMBL18151924 0.96 ADAMTS4 (0.49) ADAMTS4MMP13ADAMTS5MCL1BCL2L1
SCHEMBL18151710 0.94 ADAMTS4 (0.45) ADAMTS4MMP13ADAMTS5MCL1BCL2L1
SCHEMBL18152036 0.91 ADAMTS4 (0.48) ADAMTS4MMP13ADAMTS5MCL1BCL2L1
SCHEMBL23097447 0.90 ADAMTS4 (0.45) ADAMTS4MMP13ADAMTS5MCL1BCL2L1
SCHEMBL18152276 0.89 ACLY (0.47) ADAMTS4MMP13ADAMTS5MCL1BCL2L1
SCHEMBL18174017 0.88 CTSV (0.46) ADAMTS4MMP13ADAMTS5MCL1
SCHEMBL18151705 0.87 EGFR (0.45) MCL1
SCHEMBL18174091 0.84 CTSV (0.48) ADAMTS4MMP13ADAMTS5MCL1
SCHEMBL18164430 0.83 EGFR (0.45) MCL1BCL2L1
SCHEMBL18152539 0.83 MAPK14 (0.46) MCL1BCL2L1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210379078-A1 Killing Senescent Cells And Treating Senescence-Associated Conditions Using A Bcl Inhibitor And An Mcl-1 Inhibitor UNITY BIOTECHNOLOGY, INC. 2021-12-09 US disclosed
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 (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-20210379078-A1 Killing Senescent Cells And Treating Senescence-Associated Conditions Using A Bcl Inhibitor And An Mcl-1 Inhibitor MCL1, BCL2, BCL2L1 ADAMTS4 1071/4885MMP13 1390/4885ADAMTS5 904/4885
US-20160304485-A1 SMALL MOLECULE INHIBITORS OF MCL-1 AND USES THEREOF MCL1, BCL2L1, BCL2L11 ADAMTS4 4479/4885MMP13 3745/4885ADAMTS5 3825/4885

“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.