SCHEMBL23124751

SCHEMBL23124751

CC(C)c1ccc(CN(C)C(=O)C2CCCN(C(=O)O)C2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BCL9 O00512 5/20 0.58
▸ CTNNB1 P35222 5/20 0.58
▸ HTT P42858 2/20 0.55
▸ PKM P14618 1/20 0.55
▸ SMN1; SMN2 Q16637 1/20 0.55
▸ GABRA1 P14867 3/20 0.52
▸ GABRG2 P18507 3/20 0.52
▸ GABRB3 P28472 3/20 0.52
▸ GABRA3 P34903 3/20 0.52
▸ GABRA2 P47869 3/20 0.52
▸ GABRB2 P47870 3/20 0.52
▸ KMT2A Q03164 3/20 0.50
▸ KDM4E B2RXH2 2/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ LMNA P02545 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.47
▸ POLB P06746 1/20 0.44
▸ GAA P10253 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ AGTR2 P50052 1/20 0.42

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
SCHEMBL23124749 1.00 BCL9 (0.58) BCL9CTNNB1HTTPKMSMN1; SMN2
SCHEMBL23124723 0.88 BCL9 (0.58) BCL9CTNNB1HTTPKMSMN1; SMN2
SCHEMBL23124721 0.88 BCL9 (0.58) BCL9CTNNB1HTTPKMSMN1; SMN2
SCHEMBL23124575 0.88 BCL9 (0.58) BCL9CTNNB1HTTPKMSMN1; SMN2
SCHEMBL23124785 0.87 BCL9 (0.59) BCL9CTNNB1HTTKDM4ELMNA
SCHEMBL23124982 0.87 BCL9 (0.59) BCL9CTNNB1HTTPKMSMN1; SMN2
SCHEMBL23124467 0.87 BCL9 (0.59) BCL9CTNNB1HTTKDM4ELMNA
SCHEMBL23124469 0.87 BCL9 (0.59) BCL9CTNNB1HTTKDM4ELMNA
SCHEMBL23124502 0.87 BCL9 (0.59) BCL9CTNNB1HTTPKMSMN1; SMN2
SCHEMBL23124979 0.87 BCL9 (0.59) BCL9CTNNB1HTTPKMSMN1; SMN2

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-20220411372-A1 SMALL-MOLECULE INHIBITORS FOR THE B-CATENIN/B-CELL LYMPHOMA 9 PROTEIN-PROTEIN INTERACTION H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. 2022-12-29 — — US disclosed
WO-2021055936-A1 SMALL-MOLECULE INHIBITORS FOR THE Β-CATENIN/B-CELL LYMPHOMA 9 PROTEIN−PROTEIN INTERACTION H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2021-03-25 — — 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-20220411372-A1 SMALL-MOLECULE INHIBITORS FOR THE B-CATENIN/B-CELL LYMPHOMA 9 PROTEIN-PROTEIN INTERACTION BCL9, BCL9L, BCL6 BCL9 1/4885CTNNB1 9/4885HTT 4665/4885

“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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