SCHEMBL18151901

SCHEMBL18151901

CCCc1ccc(-c2ccc(NS(=O)(=O)c3ccc4ccccc4c3)c(C(=O)O)c2)cc1

nearest known ligand 0.65

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 4/20 0.65
MCL1 Q07820 7/20 0.64
BCL2A1 Q16548 5/20 0.64
BCL2 P10415 1/20 0.64
BCL2L1 Q07817 1/20 0.64
SLC16A3 O15427 2/20 0.56
ACLY P53396 1/20 0.54
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
KMT2A Q03164 1/20 0.48

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
SCHEMBL18151774 0.90 PLAU (0.55) METAP2MCL1BCL2A1BCL2BCL2L1
SCHEMBL18151709 0.80 MCL1 (0.52) METAP2MCL1BCL2A1BCL2BCL2L1
SCHEMBL3984242 0.80 METAP2 (1.00) METAP2MCL1BCL2A1ACLYALDH1A1
SCHEMBL18164555 0.78 MCL1 (0.53) METAP2MCL1BCL2A1BCL2BCL2L1
SCHEMBL18152208 0.78 MCL1 (1.00) MCL1BCL2A1BCL2BCL2L1SLC16A3
SCHEMBL18152267 0.77 ACLY (0.55) MCL1BCL2A1BCL2BCL2L1ACLY
SCHEMBL7348029 0.77 MEN1 (0.70) MCL1BCL2A1BCL2BCL2L1SLC16A3
SCHEMBL31681250 0.77 METAP2 (0.74) METAP2MCL1BCL2A1
SCHEMBL22762666 0.77 MCL1 (0.60) METAP2MCL1BCL2A1BCL2BCL2L1
SCHEMBL7188482 0.76 SLC16A3 (0.54) METAP2MCL1BCL2A1BCL2BCL2L1

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 METAP2 3936/4885MCL1 1/4885BCL2A1 6/4885

“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.