SCHEMBL18152267

SCHEMBL18152267

O=C(O)c1cc(-c2ccc(COc3cccc(C(F)(F)F)c3)cc2)ccc1NS(=O)(=O)c1ccc2ccccc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACLY P53396 3/20 0.55
KDM1A O60341 2/20 0.54
MCL1 Q07820 3/20 0.52
BCL2L1 Q07817 2/20 0.52
MEN1 O00255 1/20 0.52
GAA P10253 1/20 0.52
KMT2A Q03164 1/20 0.52
BCL2 P10415 1/20 0.49
BCL2A1 Q16548 1/20 0.49
KAT6A Q92794 1/20 0.47
PPARG P37231 1/20 0.47
GPR34 Q9UPC5 1/20 0.46
PLAU P00749 1/20 0.46
PLAT P00750 1/20 0.46
ERBB2 P04626 1/20 0.46
ERBB4 Q15303 1/20 0.46
MRGPRX4 Q96LA9 1/20 0.46
ADAMTS4 O75173 1/20 0.46
MMP13 P45452 1/20 0.46
ADAMTS5 Q9UNA0 1/20 0.46

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
SCHEMBL18151728 0.92 BCL2L1 (0.49) ACLYKDM1AMCL1BCL2L1MEN1
SCHEMBL18151707 0.88 MCL1 (0.64) ACLYKDM1AMCL1BCL2L1MEN1
SCHEMBL18164555 0.88 MCL1 (0.53) ACLYMCL1BCL2L1MEN1KMT2A
SCHEMBL18152276 0.86 ACLY (0.47) ACLYKDM1AMCL1BCL2L1MEN1
SCHEMBL18151709 0.82 MCL1 (0.52) ACLYMCL1BCL2L1GAABCL2
SCHEMBL22213615 0.81 MCL1 (0.64) MCL1BCL2L1MEN1KMT2ABCL2
SCHEMBL22762666 0.81 MCL1 (0.60) MCL1BCL2L1MEN1KMT2ABCL2
SCHEMBL18152275 0.80 MCL1 (0.55) ACLYMCL1MEN1GAAKMT2A
SCHEMBL18152209 0.80 KDM4E (0.44) ACLYMCL1BCL2L1GAAKAT6A
SCHEMBL18151924 0.79 ADAMTS4 (0.49) ACLYKDM1AMCL1BCL2L1ADAMTS4

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 1272/4885KDM1A 294/4885MCL1 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.