SCHEMBL25254510

SCHEMBL25254510

O=C1N[C@H](CCC(=O)N2CC3(CCC(NS(=O)(=O)c4cccc(OC(F)(F)F)c4)CC3)C2)CO1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC8 Q9BY41 1/20 0.40
▸ KIT P10721 1/20 0.39
▸ PKLR P30613 1/20 0.37
▸ DPP4 P27487 4/20 0.37
▸ KCNH2 Q12809 4/20 0.37
▸ DPP7 Q9UHL4 4/20 0.37
▸ LIPE Q05469 2/20 0.37
▸ ENPP2 Q13822 2/20 0.37
▸ ATXN2 Q99700 2/20 0.37
▸ STS P08842 1/20 0.36
▸ AKR1C3 P42330 1/20 0.36
▸ DDB1 Q16531 1/20 0.36
▸ CRBN Q96SW2 1/20 0.36
▸ DRD2 P14416 1/20 0.36
▸ ADRA1D P25100 1/20 0.36
▸ ADRA1A P35348 1/20 0.36
▸ ADRA1B P35368 1/20 0.36
▸ PAX8 Q06710 1/20 0.35
▸ TSHR P16473 1/20 0.34
▸ SFRP1 Q8N474 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
SCHEMBL25300509 0.84 AKR1C3 (0.39) PKLRAKR1C3MGLL
SCHEMBL25301211 0.81 ENPP2 (0.45) HDAC8ENPP2ATXN2TSHR
SCHEMBL25255089 0.80 HDAC8 (0.48) HDAC8KITPKLRDPP4KCNH2
SCHEMBL25146054 0.79 MGLL (0.48) HDAC8KITPKLRDPP4KCNH2
SCHEMBL25301329 0.76 DPP4 (0.38) HDAC8DPP4LIPEENPP2ATXN2
SCHEMBL25297738 0.76 HDAC8 (0.47) HDAC8KITPKLRDPP4KCNH2
SCHEMBL29497073 0.76 HDAC8 (0.47) HDAC8KITPKLRDPP4KCNH2
SCHEMBL25146288 0.75 HDAC8 (0.43) HDAC8KITPKLRDPP4KCNH2
SCHEMBL25298279 0.74 USP2 (0.37) TSHR
SCHEMBL30700579 0.73 KIT (0.44) HDAC8KITPKLRDPP4KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11981661-B2 Heterocyclic compounds HOFFMANN-LA ROCHE INC. (US) 2024-05-14 — — US claimed
EP-4208456-A1 HETEROCYCLIC COMPOUNDS F. Hoffmann-La Roche AG (CH) 2023-07-12 — — EP claimed
US-20220098176-A1 HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2022-03-31 — — US claimed
US-11981661-B2 Heterocyclic compounds HOFFMANN-LA ROCHE INC. (US) 2024-05-14 — — US disclosed
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 (2 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 2323/4885KIT 512/4885PKLR 566/4885
US-11981661-B2 Heterocyclic compounds CBR3, BRIX1, CCNY HDAC8 2323/4885KIT 512/4885PKLR 566/4885

“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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