SCHEMBL31370396

SCHEMBL31370396

CC(C)(C)OC(=O)C(C)(C)n1cc(Br)cn1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ELANE P08246 6/20 0.36
PLAU P00749 4/20 0.36
F2 P00734 1/20 0.36
KLKB1 P03952 1/20 0.36
DGAT1 O75907 1/20 0.32
NPC1 O15118 1/20 0.31
RECQL P46063 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.30
ATM Q13315 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
ROCK2 O75116 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
SCHEMBL1582341 0.85 ELANE (0.37) ELANEPLAUF2KLKB1RECQL
SCHEMBL13412138 0.81 CYP4F2 (0.43) ELANEPLAUF2KLKB1SMN1; SMN2
SCHEMBL16424171 0.80 DGAT1 (0.32) DGAT1MAPTHTTATMROCK2
SCHEMBL21995832 0.79 ELANE (0.40) ELANEPLAUF2KLKB1NPC1
SCHEMBL3766982 0.79 LMNA (0.43) ELANEPLAUF2KLKB1NPC1
SCHEMBL18622410 0.77 ELANE (0.39) ELANEPLAUF2KLKB1NPC1
SCHEMBL16423881 0.75 F2 (0.40) ELANEPLAUF2NPC1RAB9A
SCHEMBL20520051 0.75 ELANE (0.37) ELANEPLAUF2KLKB1NPC1
SCHEMBL20519689 0.75 MAP4K4 (0.38) ELANEPLAUF2KLKB1NPC1
SCHEMBL2549524 0.75 ELANE (0.47) ELANEPLAUF2KLKB1MAPT

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-20240400499-A1 NOVEL AMINO ACID DERIVATIVES PEPTIDREAM INC (JP) 2024-12-05 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-20240400499-A1 NOVEL AMINO ACID DERIVATIVES BCAT1, BCAT2, PELP1 ELANE 3141/4885PLAU 2646/4885F2 2014/4885

“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.