SCHEMBL18151709

SCHEMBL18151709

O=C(O)c1cc(-c2ccc(COc3cccc4ccccc34)cc2)ccc1NS(=O)(=O)c1ccc2ccccc2c1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 5/20 0.52
BCL2A1 Q16548 3/20 0.52
BCL2 P10415 1/20 0.52
BCL2L1 Q07817 1/20 0.52
POLB P06746 1/20 0.48
G6PD P11413 1/20 0.48
ACLY P53396 5/20 0.48
SLC16A3 O15427 2/20 0.46
MRGPRX4 Q96LA9 1/20 0.45
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
METAP2 P50579 1/20 0.44

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
SCHEMBL18152544 0.91 PLAU (0.51) MCL1BCL2A1BCL2BCL2L1POLB
SCHEMBL18151745 0.88 MCL1 (0.63) MCL1BCL2A1BCL2BCL2L1POLB
SCHEMBL18164555 0.84 MCL1 (0.53) MCL1BCL2A1BCL2BCL2L1ACLY
SCHEMBL18152267 0.82 ACLY (0.55) MCL1BCL2A1BCL2BCL2L1ACLY
SCHEMBL22213615 0.80 MCL1 (0.64) MCL1BCL2A1BCL2BCL2L1POLB
SCHEMBL18151901 0.80 METAP2 (0.65) MCL1BCL2A1BCL2BCL2L1ACLY
SCHEMBL22762666 0.80 MCL1 (0.60) MCL1BCL2A1BCL2BCL2L1POLB
SCHEMBL18151778 0.79 MCL1 (0.54) MCL1BCL2A1POLBALDH1A1GAA
SCHEMBL18151728 0.74 BCL2L1 (0.49) MCL1BCL2L1POLBACLYGAA
SCHEMBL2258352 0.74 ACLY (0.65) MCL1ACLY

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 MCL1 1/4885BCL2A1 6/4885BCL2 13/4885

“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.