SCHEMBL18151707

SCHEMBL18151707

O=C(O)c1cc(-c2ccccc2COc2cccc(C(F)(F)F)c2)ccc1NS(=O)(=O)c1ccc2ccccc2c1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 2/20 0.64
KDM1A O60341 2/20 0.50
MEN1 O00255 1/20 0.50
GAA P10253 1/20 0.50
KMT2A Q03164 1/20 0.50
ACLY P53396 2/20 0.49
ERBB2 P04626 1/20 0.46
ERBB4 Q15303 1/20 0.46
BCL2 P10415 1/20 0.46
BCL2L1 Q07817 1/20 0.46
BCL2A1 Q16548 1/20 0.46
KAT6A Q92794 1/20 0.46
IGF1R P08069 1/20 0.45
MET P08581 1/20 0.45
SRC P12931 1/20 0.45
SLC16A3 O15427 1/20 0.43

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
SCHEMBL18152275 0.92 MCL1 (0.55) MCL1MEN1GAAKMT2AACLY
SCHEMBL18152267 0.88 ACLY (0.55) MCL1KDM1AMEN1GAAKMT2A
SCHEMBL18151745 0.83 MCL1 (0.63) MCL1MEN1KMT2ABCL2BCL2L1
SCHEMBL18152276 0.80 ACLY (0.47) MCL1KDM1AMEN1GAAKMT2A
SCHEMBL18151728 0.80 BCL2L1 (0.49) MCL1KDM1AMEN1GAAKMT2A
SCHEMBL22147425 0.78 MCL1 (1.00) MCL1ERBB2ERBB4IGF1RMET
SCHEMBL18151743 0.78 MCL1 (0.79) MCL1ERBB2ERBB4IGF1RMET
SCHEMBL22147423 0.77 MCL1 (0.84) MCL1ERBB2ERBB4IGF1RMET
SCHEMBL18164555 0.76 MCL1 (0.53) MCL1MEN1KMT2AACLYBCL2
SCHEMBL18151778 0.75 MCL1 (0.54) MCL1MEN1GAAKMT2ABCL2A1

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 8 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
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 MCL1 1/4885KDM1A 294/4885MEN1 494/4885

“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.