Sugi Predict

Sugi Predict / Compounds / SCHEMBL823072

SCHEMBL823072

SCHEMBL823072

CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](O)C[C@H]1Cc1c[nH]c2ncccc12)[C@@H](C)OC

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ XIAP P98170 11/20 0.43
▸ BIRC3 Q13489 7/20 0.43
▸ BIRC2 Q13490 1/20 0.43
▸ BIRC7 Q96CA5 1/20 0.43
▸ CYP3A4 P08684 2/20 0.36
▸ CYP2C9 P11712 2/20 0.36
▸ SLC16A1 P53985 2/20 0.36
▸ MTNR1A P48039 1/20 0.35
▸ GPR84 Q9NQS5 1/20 0.35
▸ TNF P01375 3/20 0.34
▸ MAP2K1 Q02750 1/20 0.34
▸ FGFR1 P11362 1/20 0.34
▸ FGFR4 P22455 1/20 0.34
▸ PIK3CD O00329 1/20 0.33
▸ PIK3CA P42336 1/20 0.33
▸ PIK3CB P42338 1/20 0.33
▸ PIK3CG P48736 1/20 0.33

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
SCHEMBL818633 1.00 XIAP (0.43) XIAPBIRC3BIRC2BIRC7CYP3A4
SCHEMBL820499 0.85 AURKA (0.33) XIAPBIRC3BIRC2BIRC7CYP3A4
SCHEMBL12104558 0.82 XIAP (0.36) XIAPBIRC3BIRC2BIRC7
SCHEMBL12104544 0.82 XIAP (0.41) XIAPBIRC3BIRC2BIRC7TNF
SCHEMBL12104555 0.82 XIAP (0.39) XIAPBIRC3BIRC2BIRC7TNF
SCHEMBL12464270 0.80 XIAP (0.35) XIAPBIRC3BIRC2BIRC7
SCHEMBL12104569 0.79 XIAP (0.36) XIAPBIRC3BIRC2BIRC7
SCHEMBL12104551 0.79 XIAP (0.44) XIAPBIRC3BIRC2BIRC7TNF
SCHEMBL818314 0.78 HCRTR1 (0.31) MTNR1A
SCHEMBL12104570 0.78 XIAP (0.37) XIAPBIRC3BIRC2BIRC7TNF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11542492-B2 Ligand-directed covalent modification of protein CELGENE CAR LLC (BM) 2023-01-03 — — US disclosed
US-20170218353-A1 Ligand-Directed Covalent Modification of Protein CELGENE CAR LLC (BM) 2017-08-03 — — US disclosed
US-20170218353-A1 Ligand-Directed Covalent Modification of Protein CELGENE CAR LLC (BM) 2017-08-03 — — US disclosed
US-20110288116-A1 IAP INHIBITORS TETRALOGIC PHARMACEUITCAL CORPORATION (US) 2011-11-24 — — US disclosed
US-20110269244-A1 LIGAND-DIRECTED COVALENT MODIFICATION OF PROTEIN CELGENE CAR LLC (BM) 2011-11-03 — — US disclosed
US-20110269244-A1 LIGAND-DIRECTED COVALENT MODIFICATION OF PROTEIN CELGENE CAR LLC (BM) 2011-11-03 — — US disclosed
WO-2011082285-A1 LIGAND-DIRECTED COVALENT MODIFICATION OF PROTEIN AVILA THERAPEUTICS, INC. (US) 2011-07-07 — — WO disclosed
WO-2009094287-A1 IAP INHIBITORS TETRALOGIC PHARMACEUTICAL CORPORATION (US) 2009-07-30 — — 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 (4 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-11542492-B2 Ligand-directed covalent modification of protein PTMS, SPR, DNPEP XIAP 1017/4885BIRC3 3691/4885BIRC2 3250/4885
US-20110288116-A1 IAP INHIBITORS XIAP, BIRC5, BIRC7 XIAP 1/4885BIRC3 6/4885BIRC2 4/4885
US-20110269244-A1 LIGAND-DIRECTED COVALENT MODIFICATION OF PROTEIN PTMS, SPR, DNPEP XIAP 1017/4885BIRC3 3691/4885BIRC2 3250/4885
US-20170218353-A1 Ligand-Directed Covalent Modification of Protein PTMS, SPR, DNPEP XIAP 1017/4885BIRC3 3691/4885BIRC2 3250/4885

“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.