SCHEMBL22493327

SCHEMBL22493327

CCC(C)(C)CCCCCNC(=O)CCCC[C@@H]1SCC2NC(=O)NC21

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 5/20 0.64
▸ F2 P00734 1/20 0.56
▸ PRSS1 P07477 1/20 0.56
▸ PRSS2 P07478 1/20 0.56
▸ PRSS3 P35030 1/20 0.56
▸ TPSAB1 Q15661 1/20 0.56
▸ PLCD1 P51178 1/20 0.55
▸ ITGB1 P05556 1/20 0.55
▸ ITGA4 P13612 1/20 0.55
▸ MEN1 O00255 1/20 0.55
▸ ABL1 P00519 1/20 0.55
▸ LMNA P02545 1/20 0.55
▸ PKM P14618 1/20 0.55
▸ IDE P14735 1/20 0.55
▸ MAPK1 P28482 1/20 0.55
▸ KMT2A Q03164 1/20 0.55
▸ RIN1 Q13671 1/20 0.55
▸ L3MBTL1 Q9Y468 1/20 0.55
▸ CA12 O43570 2/20 0.54
▸ CA1 P00915 2/20 0.54

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
SCHEMBL21130775 0.91 TDP1 (0.67) TDP1F2PRSS1PRSS2PRSS3
SCHEMBL17703304 0.90 TDP1 (0.68) TDP1F2PRSS1PRSS2PRSS3
SCHEMBL18779801 0.89 TDP1 (0.78) TDP1F2PRSS1PRSS2PRSS3
SCHEMBL20006677 0.88 TDP1 (0.71) TDP1F2PRSS1PRSS2PRSS3
SCHEMBL17881931 0.88 TDP1 (0.71) TDP1F2PRSS1PRSS2PRSS3
SCHEMBL2632289 0.88 TDP1 (0.71) TDP1F2PRSS1PRSS2PRSS3
SCHEMBL22493325 0.88 HLCS (0.71) TDP1F2PRSS1PRSS2PRSS3
SCHEMBL15870672 0.88 HLCS (0.71) TDP1F2PRSS1PRSS2PRSS3
SCHEMBL12320610 0.88 HLCS (0.71) TDP1F2PRSS1PRSS2PRSS3
SCHEMBL12729936 0.88 HLCS (0.71) TDP1F2PRSS1PRSS2PRSS3

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
US-20220213057-A1 OXOPIPERAZINE DERIVATIVES Inthera Bioscience AG (CH) 2022-07-07 — — US disclosed
US-20200308139-A1 OXOPIPERAZINE DERIVATIVES Inthera Bioscience AG (CH) 2020-10-01 — — 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-20220213057-A1 OXOPIPERAZINE DERIVATIVES CYP3A5, AQP1, AVPR2 TDP1 2694/4885F2 789/4885PRSS1 1583/4885
US-20200308139-A1 OXOPIPERAZINE DERIVATIVES CYP3A5, AQP1, AVPR2 TDP1 2694/4885F2 789/4885PRSS1 1583/4885

“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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