SCHEMBL29318880

SCHEMBL29318880

COc1ccc(COc2c(F)cc(C(=O)NC[C@H]3CC[C@H](c4noc(-c5ccnc(N6CCN(C(=O)OC(C)(C)C)CC6)n5)n4)CC3)c(F)c2F)cc1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 1/20 0.40
TP53 P04637 8/20 0.39
LMNA P02545 4/20 0.39
TLR9 Q9NR96 1/20 0.37
THRB P10828 3/20 0.37
TDP1 Q9NUW8 1/20 0.37
ACHE P22303 2/20 0.36
MAPT P10636 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GPR119 Q8TDV5 2/20 0.36
DDB1 Q16531 1/20 0.35
CRBN Q96SW2 1/20 0.35
SLC2A1 P11166 1/20 0.34

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
SCHEMBL30995328 1.00 TBK1 (0.40) TBK1TP53LMNATLR9THRB
SCHEMBL29318877 0.90 F10 (0.36)
SCHEMBL30995356 0.90 F10 (0.36)
SCHEMBL27392867 0.88 DDB1 (0.36) TBK1TP53LMNATLR9THRB
SCHEMBL29318390 0.83 TLR9 (0.37) TBK1TP53LMNATLR9TDP1
SCHEMBL30995287 0.83 TLR9 (0.37) TBK1TP53LMNATLR9TDP1
SCHEMBL27213776 0.83 TLR9 (0.37) TBK1TP53LMNATLR9TDP1
SCHEMBL29319793 0.80 GPR119 (0.37) TBK1TP53LMNATLR9THRB
SCHEMBL30995379 0.80 GPR119 (0.37) TBK1TP53LMNATLR9THRB
SCHEMBL27392873 0.79 F10 (0.34)

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-20240238425-A1 HSD17B13 Inhibitors and/or Degraders PFIZER INC. (US) 2024-07-18 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-20240238425-A1 HSD17B13 Inhibitors and/or Degraders HSD17B13, HSD17B3, HSD17B1 TBK1 3561/4885TP53 1737/4885LMNA 1598/4885

“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.