SCHEMBL22428682

SCHEMBL22428682

CCCC(=O)c1ccc(N)c(NC2CC(F)(F)C2)n1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 2/20 0.38
TRPA1 O75762 1/20 0.38
BCDIN3D Q7Z5W3 3/20 0.33
MBOAT4 Q96T53 3/20 0.33
JAK2 O60674 1/20 0.33
MAPK1 P28482 1/20 0.31
WHR1 P49842 1/20 0.31
RORC P51449 1/20 0.31
IDH1 O75874 2/20 0.30
MAPK8 P45983 1/20 0.30
CYP1A2 P05177 1/20 0.30
CHRM4 P08173 1/20 0.30
CYP2D6 P10635 1/20 0.30
HTR2B P41595 1/20 0.30
IRAK1 P51617 1/20 0.30
IRAK4 Q9NWZ3 1/20 0.30

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
SCHEMBL22428683 0.87 GRM4 (0.39) GRM4TRPA1BCDIN3DMBOAT4JAK2
SCHEMBL22428805 0.80 GRM4 (0.35) GRM4TRPA1JAK2
SCHEMBL28926930 0.76 MBOAT4 (0.41) GRM4TRPA1BCDIN3DMBOAT4JAK2
SCHEMBL30873882 0.76 MBOAT4 (0.41) GRM4TRPA1BCDIN3DMBOAT4JAK2
SCHEMBL22428680 0.71 IDH1 (0.39) GRM4MBOAT4JAK2IDH1CYP1A2
SCHEMBL22428674 0.67 MEN1 (0.41) WHR1
SCHEMBL22411339 0.67 MBOAT4 (0.37) GRM4TRPA1BCDIN3DMBOAT4JAK2
SCHEMBL26618136 0.63 GRM4 (0.39) GRM4TRPA1MAPK1IDH1
SCHEMBL30873917 0.63 TRPA1 (0.39) GRM4TRPA1BCDIN3DMBOAT4JAK2
SCHEMBL28648458 0.63 TRPA1 (0.39) GRM4TRPA1BCDIN3DMBOAT4JAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230172940-A1 METHODS OF EXTENDING LIFESPAN BY ADMINISTERING FERROPTOSIS INHIBITORS COLLABORATIVE MEDICINAL DEVELOPMENT, LLC (US) 2023-06-08 US disclosed
US-20230172940-A1 METHODS OF EXTENDING LIFESPAN BY ADMINISTERING FERROPTOSIS INHIBITORS COLLABORATIVE MEDICINAL DEVELOPMENT, LLC (US) 2023-06-08 US disclosed
US-20220144826-A1 Heteroaromatic and Heterobicyclic Aromatic Derivatives for the Treatment of Ferroptosis-Related Disorders COLLABORATIVE MEDICINAL DEVELOPMENT, LLC (US) 2022-05-12 US disclosed
WO-2020185738-A1 HETEROAROMATIC AND HETEROBICYCLIC AROMATIC DERIVATIVES FOR THE TREATMENT OF FERROPTOSIS-RELATED DISORDERS COLLABORATIVE MEDICINAL DEVELOPMENT, LLC (US) 2020-09-17 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-20230172940-A1 METHODS OF EXTENDING LIFESPAN BY ADMINISTERING FERROPTOSIS INHIBITORS GPX4, GPX1, AIFM2 GRM4 2492/4885TRPA1 4654/4885BCDIN3D 1439/4885
US-20220144826-A1 Heteroaromatic and Heterobicyclic Aromatic Derivatives for the Treatment of Ferroptosis-Related Disorders AIFM2, FECH, SLC40A1 GRM4 2245/4885TRPA1 1513/4885BCDIN3D 3970/4885

“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.