SCHEMBL18151706

SCHEMBL18151706

COC(=O)c1cc(SCCc2ccccc2)ccc1NS(=O)(=O)c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 15/20 0.67
BCL2A1 Q16548 15/20 0.67
BCL2 P10415 3/20 0.63
BCL2L1 Q07817 3/20 0.63
CYP2C9 P11712 2/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2C19 P33261 1/20 0.48
BCL2L2 Q92843 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
SCHEMBL18151714 0.92 MCL1 (0.79) MCL1BCL2A1BCL2BCL2L1
SCHEMBL18152271 0.91 MCL1 (0.82) MCL1BCL2A1BCL2BCL2L1CYP2C9
SCHEMBL18151920 0.90 MCL1 (0.81) MCL1BCL2A1BCL2BCL2L1
SCHEMBL18152033 0.89 MCL1 (0.69) MCL1BCL2A1BCL2BCL2L1
SCHEMBL18152045 0.89 MCL1 (0.81) MCL1BCL2A1BCL2BCL2L1
SCHEMBL18151899 0.88 MCL1 (0.81) MCL1BCL2A1BCL2BCL2L1
SCHEMBL18151925 0.87 MCL1 (0.72) MCL1BCL2A1BCL2BCL2L1BCL2L2
SCHEMBL18151724 0.83 MCL1 (0.66) MCL1BCL2A1BCL2BCL2L1BCL2L2
SCHEMBL18152207 0.83 MCL1 (0.83) MCL1BCL2A1BCL2BCL2L1
SCHEMBL18151722 0.82 BCL2A1 (0.47) MCL1BCL2A1BCL2BCL2L1CYP2C9

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 5 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-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
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

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.