SCHEMBL22043545

SCHEMBL22043545

CC(C)(C)OC(=O)c1cc(NC2CCCCC2)c(NC23CC4CC(CC(C4)C2)C3)cc1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 1/20 0.48
▸ CA1 P00915 6/20 0.39
▸ CA2 P00918 6/20 0.39
▸ CA3 P07451 6/20 0.39
▸ CA6 P23280 6/20 0.39
▸ CA7 P43166 6/20 0.39
▸ CA5B Q9Y2D0 6/20 0.39
▸ CA12 O43570 5/20 0.39
▸ CA14 Q9ULX7 4/20 0.39
▸ CA5A P35218 4/20 0.39
▸ CA13 Q8N1Q1 3/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ CA9 Q16790 4/20 0.39
▸ CISD1 Q9NZ45 1/20 0.39
▸ CA4 P22748 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ CNR2 P34972 1/20 0.36
▸ MAPT P10636 1/20 0.35

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
SCHEMBL22043870 0.89 ALOX15 (0.52) ALOX15MEN1KMT2AL3MBTL1CNR2
SCHEMBL22043521 0.88 ALOX15 (0.48) ALOX15MEN1KMT2AL3MBTL1CNR2
SCHEMBL22043546 0.82 ALOX15 (0.67) ALOX15MEN1KMT2AALDH1A1CNR2
SCHEMBL22043531 0.82 ALOX15 (0.67) ALOX15MEN1KMT2AALDH1A1CNR2
SCHEMBL22043691 0.81 ALOX15 (0.65) ALOX15CA1CA2CA12MEN1
SCHEMBL23873653 0.75 ALOX15 (0.50) ALOX15MEN1KMT2ACNR2EPHX2
SCHEMBL22043538 0.71 CNR2 (0.37) ALOX15L3MBTL1CNR2EPHX2EPHX1
SCHEMBL27040186 0.71 MEN1 (0.41) ALOX15CA1CA2CA3CA6
SCHEMBL22043539 0.69 ALOX15 (0.70) ALOX15MEN1KMT2AALDH1A1L3MBTL1
SCHEMBL23683898 0.69 HCAR3 (0.42) MEN1KMT2ACNR2MAPK1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240156790-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING FERROPTOSIS AND TREATING EXCITOTOXIC DISORDERS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK 2024-05-16 — — US disclosed
US-20210299107-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING FERROPTOSIS AND TREATING EXCITOTOXIC DISORDERS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK 2021-09-30 — — US disclosed
WO-2020113028-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING FERROPTOSIS AND TREATING EXCITOTOXIC DISORDERS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2020-06-04 — — WO 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 (2 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-20240156790-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING FERROPTOSIS AND TREATING EXCITOTOXIC DISORDERS AIFM2, GPX1, SLC7A11 ALOX15 286/4885CA1 395/4885CA2 1068/4885
US-20210299107-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING FERROPTOSIS AND TREATING EXCITOTOXIC DISORDERS AIFM2, GPX1, SLC7A11 ALOX15 286/4885CA1 395/4885CA2 1068/4885

“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.

Send feedback