SCHEMBL31206293

SCHEMBL31206293

CC1(C)CCC(c2ccc(NCCNC(=O)OC(C)(C)C)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 2/20 0.46
CRBN Q96SW2 2/20 0.46
CTSK P43235 1/20 0.46
FPR3 P25089 4/20 0.44
FPR2 P25090 4/20 0.44
NPC1L1 Q9UHC9 3/20 0.42
MALT1 Q9UDY8 1/20 0.41
EPHX1 P07099 1/20 0.41
BCHE P06276 1/20 0.40
NAMPT P43490 2/20 0.40
DRD2 P14416 2/20 0.39
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
ALOX5AP P20292 1/20 0.37
FEN1 P39748 1/20 0.37

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
SCHEMBL31206064 0.93 FPR3 (0.46) DDB1CRBNCTSKFPR3FPR2
SCHEMBL31206099 0.85 CA1 (0.49) FPR3FPR2NPC1L1EPHX1NAMPT
SCHEMBL25041522 0.84 CA1 (0.58) FPR3FPR2NPC1L1NAMPTDRD2
SCHEMBL22957494 0.81 DDB1 (0.43) DDB1CRBNCTSKFPR3FPR2
SCHEMBL25042017 0.79 DRD2 (0.42) FPR3FPR2NPC1L1NAMPTDRD2
SCHEMBL22957492 0.77 DDB1 (0.43) DDB1CRBNCTSKFPR3FPR2
SCHEMBL31206120 0.77 KDM1A (0.46) NPC1L1NAMPTDRD2
SCHEMBL30817322 0.76 CRBN (0.62) DDB1CRBNFPR3FPR2MALT1
SCHEMBL22644748 0.76 MALT1 (0.51) DDB1CRBNCTSKFPR3FPR2
SCHEMBL21659730 0.75 POLB (0.56) DDB1CRBNMALT1BCHECA1

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 DDB1 1180/4885CRBN 2564/4885CTSK 1490/4885

“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.