SCHEMBL31206247

SCHEMBL31206247

Cc1cc(C)c(NC2CCC(NC(=O)OC(C)(C)C)CC2)c(C)c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 1/20 0.46
▸ MAOB P27338 1/20 0.46
▸ BTK Q06187 5/20 0.46
▸ NFKB1 P19838 2/20 0.45
▸ NFKB2 Q00653 2/20 0.45
▸ RELA Q04206 2/20 0.45
▸ LCK P06239 1/20 0.42
▸ EPHX2 P34913 2/20 0.42
▸ DRD2 P14416 2/20 0.41
▸ TAS1R3 Q7RTX0 2/20 0.41
▸ TAS1R1 Q7RTX1 2/20 0.41
▸ TAS1R2 Q8TE23 2/20 0.41
▸ CTSK P43235 2/20 0.40
▸ KMT2A Q03164 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL31628370 0.89 NFKB1 (0.45) KDM1AMAOBBTKNFKB1NFKB2
SCHEMBL29218882 0.83 ACACB (0.47) DRD2KMT2A
SCHEMBL31206112 0.82 KDM1A (0.47) KDM1AMAOBBTKNFKB1NFKB2
SCHEMBL1844533 0.78 EPHX2 (0.58) BTKEPHX2KMT2AL3MBTL1
SCHEMBL31206020 0.78 RAB9A (0.48) KDM1AMAOBBTKEPHX2DRD2
SCHEMBL3702152 0.78 BTK (0.61) KDM1AMAOBBTKNFKB1NFKB2
SCHEMBL3702157 0.78 BTK (0.61) KDM1AMAOBBTKNFKB1NFKB2
SCHEMBL10343938 0.78 BTK (0.61) KDM1AMAOBBTKNFKB1NFKB2
SCHEMBL1406894 0.78 BTK (0.61) KDM1AMAOBBTKNFKB1NFKB2
Methyl Alcohol SCHEMBL28082230 0.77 BTK (0.59) KDM1AMAOBBTKNFKB1NFKB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240360114-A1 FERROPTOSIS MODULATORS, PREPARATIONS, AND USES THEREOF Sironax Ltd. (KY) 2024-10-31 — — 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-20240360114-A1 FERROPTOSIS MODULATORS, PREPARATIONS, AND USES THEREOF AIFM2, GPX1, GPX4 KDM1A 3776/4885MAOB 1677/4885BTK 3650/4885

“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