SCHEMBL18152270

SCHEMBL18152270

COC(=O)c1cc(-c2ccccc2COc2cccc(C(F)(F)F)c2)ccc1N

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.66
IGF1R P08069 1/20 0.51
MET P08581 1/20 0.51
SRC P12931 1/20 0.51
PTGES O14684 1/20 0.46
MRGPRX4 Q96LA9 2/20 0.45
ERBB2 P04626 1/20 0.45
ERBB4 Q15303 1/20 0.45
CFTR P13569 1/20 0.45
KDM4E B2RXH2 1/20 0.44
FFAR1 O14842 1/20 0.44
FFAR4 Q5NUL3 1/20 0.44
BRD4 O60885 1/20 0.44
HIF1A Q16665 1/20 0.44
PTGER1 P34995 1/20 0.42
PTGER4 P35408 1/20 0.42
PTGER3 P43115 1/20 0.42
PTGER2 P43116 1/20 0.42
MAOB P27338 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL18151743 0.89 MCL1 (0.79) MCL1IGF1RMETSRCPTGES
SCHEMBL18151779 0.85 MAOB (0.49) MCL1IGF1RMETSRCPTGES
SCHEMBL22147425 0.80 MCL1 (1.00) MCL1IGF1RMETSRCPTGES
SCHEMBL18152275 0.79 MCL1 (0.55) MCL1IGF1RMETSRCPTGES
SCHEMBL22147423 0.78 MCL1 (0.84) MCL1IGF1RMETSRCPTGES
SCHEMBL18152212 0.77 MCL1 (0.64) MCL1MRGPRX4KDM4EMAPTTP53
SCHEMBL25297428 0.76 CFTR (0.57) CFTRKDM4EMAPT
SCHEMBL18151780 0.76 PTGES (0.46) MCL1PTGESMRGPRX4CFTRKDM4E
SCHEMBL30849293 0.73 CFTR (0.59) CFTRKDM4EMAPT
SCHEMBL30849288 0.73 CFTR (0.59) CFTRKDM4EMAPT

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 1/4885IGF1R 1438/4885MET 2136/4885

“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.