SCHEMBL29497073

SCHEMBL29497073

CC(C)(C)OC(=O)N1CC2(CCC(NS(=O)(=O)c3cccc(OC(F)(F)F)c3)CC2)C1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HDAC8 Q9BY41 1/20 0.47
▸ SFRP1 Q8N474 6/20 0.44
▸ NR1H2 P55055 2/20 0.44
▸ STS P08842 2/20 0.44
▸ KIT P10721 1/20 0.43
▸ DPP4 P27487 2/20 0.42
▸ KCNH2 Q12809 2/20 0.42
▸ DPP7 Q9UHL4 2/20 0.42
▸ TGFBR1 P36897 4/20 0.42
▸ MGLL Q99685 1/20 0.42
▸ ABHD6 Q9BV23 1/20 0.42
▸ PKLR P30613 1/20 0.41
▸ WNT3 P56703 2/20 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
SCHEMBL25297738 1.00 HDAC8 (0.47) HDAC8SFRP1NR1H2STSKIT
SCHEMBL25255089 0.88 HDAC8 (0.48) HDAC8STSKITDPP4KCNH2
SCHEMBL30488780 0.81 MGLL (0.45) STSTGFBR1MGLLABHD6
SCHEMBL25292247 0.81 MGLL (0.45) STSTGFBR1MGLLABHD6
SCHEMBL25146288 0.79 HDAC8 (0.43) HDAC8STSKITDPP4KCNH2
SCHEMBL30700579 0.79 KIT (0.44) HDAC8SFRP1STSKITDPP4
SCHEMBL30898351 0.79 ABHD6 (0.48) STSTGFBR1MGLLABHD6PKLR
SCHEMBL30410188 0.79 ABHD6 (0.48) STSTGFBR1MGLLABHD6PKLR
SCHEMBL25145667 0.78 KIT (0.49) HDAC8STSKIT
SCHEMBL25146054 0.78 MGLL (0.48) HDAC8STSKITDPP4KCNH2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4208456-A1 HETEROCYCLIC COMPOUNDS F. Hoffmann-La Roche AG (CH) 2023-07-12 — — EP disclosed
US-20220098176-A1 HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2022-03-31 — — 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-20220098176-A1 HETEROCYCLIC COMPOUNDS CBR3, BRIX1, CCNY HDAC8 2323/4885SFRP1 3701/4885NR1H2 1175/4885

“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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