SCHEMBL20471981

SCHEMBL20471981

COC(=O)c1ccc(Br)cc1OCCCCNC(=O)OC(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA12 O43570 7/20 0.50
CA1 P00915 7/20 0.50
CA2 P00918 7/20 0.50
CA9 Q16790 7/20 0.50
RAB9A P51151 1/20 0.45
TDP1 Q9NUW8 1/20 0.43
FPR3 P25089 2/20 0.42
FPR2 P25090 2/20 0.42
KDM4E B2RXH2 3/20 0.42
KMT2A Q03164 1/20 0.42
AAK1 Q2M2I8 2/20 0.41
PTPN1 P18031 2/20 0.41
DRD2 P14416 1/20 0.41

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
SCHEMBL17959004 0.97 CA12 (0.49) CA12CA1CA2CA9RAB9A
SCHEMBL23457849 0.93 CA12 (0.48) CA12CA1CA2CA9AAK1
SCHEMBL20472087 0.91 CA12 (0.47) CA12CA1CA2CA9RAB9A
SCHEMBL20471820 0.90 CA12 (0.48) CA12CA1CA2CA9RAB9A
SCHEMBL3197902 0.87 CA12 (0.54) CA12CA1CA2CA9RAB9A
SCHEMBL20471909 0.87 CA12 (0.46) CA12CA1CA2CA9RAB9A
SCHEMBL2551702 0.86 CA12 (0.50) CA12CA1CA2CA9TDP1
SCHEMBL25840614 0.86 CA12 (0.54) CA12CA1CA2CA9RAB9A
SCHEMBL2548980 0.85 CA12 (0.51) CA12CA1CA2CA9TDP1
SCHEMBL12514969 0.84 CA12 (0.54) CA12CA1CA2CA9TDP1

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
EP-3580224-B1 ASK1 INHIBITING AGENTS BIOGEN MA INC (US) 2022-07-13 EP disclosed
EP-3580224-B1 ASK1 INHIBITING AGENTS BIOGEN MA INC (US) 2022-07-13 EP disclosed
US-11168095-B2 ASK1 inhibiting agents BIOGEN MA INC. (US) 2021-11-09 US disclosed
WO-2018148204-A1 ASK1 INHIBITING AGENTS BIOGEN MA INC. (US) 2018-08-16 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 (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-11168095-B2 ASK1 inhibiting agents MAP3K1, MAP3K10, MAP3K20 CA12 4819/4885CA1 3842/4885CA2 4075/4885

“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.