SCHEMBL20471960

SCHEMBL20471960

COc1ccc(CN(CC(C)CC(=O)O)C(=O)OC(C)(C)C)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.44
▸ USP2 O75604 1/20 0.44
▸ TDP1 Q9NUW8 2/20 0.42
▸ HDAC3 O15379 1/20 0.41
▸ HDAC1 Q13547 1/20 0.41
▸ HDAC2 Q92769 1/20 0.41
▸ NCOR2 Q9Y618 1/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ LPAR1 Q92633 1/20 0.40
▸ LPAR5 Q9H1C0 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ LDHA P00338 1/20 0.40
▸ PTGES O14684 1/20 0.39
▸ ACHE P22303 1/20 0.39
▸ FFAR1 O14842 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ SMN1; SMN2 Q16637 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
SCHEMBL29765190 0.89 HDAC3 (0.40) TSHRUSP2TDP1HDAC3HDAC1
SCHEMBL23995941 0.89 HDAC3 (0.40) TSHRUSP2TDP1HDAC3HDAC1
SCHEMBL29765192 0.86 TSHR (0.40) TSHRUSP2TDP1HDAC3HDAC1
SCHEMBL24610200 0.86 TSHR (0.40) TSHRUSP2TDP1HDAC3HDAC1
SCHEMBL24610141 0.85 ALDH1A1 (0.43) TSHRUSP2TDP1HDAC3HDAC1
SCHEMBL29765069 0.85 ALDH1A1 (0.43) TSHRUSP2TDP1HDAC3HDAC1
SCHEMBL24574916 0.81 TSHR (0.38) TSHRL3MBTL1ALDH1A1KMT2ALDHA
SCHEMBL3510728 0.78 TSHR (0.51) TSHRUSP2TDP1HDAC3HDAC1
SCHEMBL23995970 0.77 ALDH1A1 (0.45) TSHRUSP2TDP1HDAC3HDAC1
SCHEMBL13547362 0.77 SSTR4 (0.49) TSHRUSP2TDP1HDAC3HDAC1

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 3 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
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 TSHR 3906/4885USP2 1508/4885TDP1 130/4885

“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.

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