SCHEMBL21952017

SCHEMBL21952017

O=C(O)c1ccc(-n2nnnc2SCC(=O)N2CCc3cc(Br)ccc32)cc1

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 5/20 0.65
▸ APOBEC3A P31941 1/20 0.65
▸ APOBEC3G Q9HC16 1/20 0.65
▸ ALDH1A1 P00352 8/20 0.60
▸ LMNA P02545 2/20 0.56
▸ MAPK1 P28482 1/20 0.56
▸ MEN1 O00255 4/20 0.55
▸ KMT2A Q03164 4/20 0.55
▸ ALOX15 P16050 2/20 0.52
▸ MAPT P10636 2/20 0.52
▸ PPARG P37231 1/20 0.49
▸ HPGD P15428 1/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL21952015 0.92 TSHR (0.70) TSHRAPOBEC3AAPOBEC3GALDH1A1LMNA
SCHEMBL30278759 0.92 TSHR (0.70) TSHRAPOBEC3AAPOBEC3GALDH1A1LMNA
SCHEMBL21952051 0.89 TSHR (0.65) TSHRAPOBEC3AAPOBEC3GALDH1A1LMNA
SCHEMBL21951993 0.89 TSHR (0.65) TSHRAPOBEC3AAPOBEC3GALDH1A1LMNA
SCHEMBL21952032 0.87 TSHR (0.63) TSHRAPOBEC3AAPOBEC3GALDH1A1LMNA
SCHEMBL22009411 0.87 TSHR (0.86) TSHRAPOBEC3AAPOBEC3GALDH1A1LMNA
SCHEMBL21952063 0.86 TSHR (0.62) TSHRAPOBEC3AAPOBEC3GALDH1A1LMNA
SCHEMBL21952024 0.86 TSHR (0.61) TSHRAPOBEC3AAPOBEC3GALDH1A1LMNA
SCHEMBL21952061 0.84 TSHR (0.61) TSHRAPOBEC3AAPOBEC3GALDH1A1LMNA
SCHEMBL30278739 0.84 TSHR (0.61) TSHRAPOBEC3AAPOBEC3GALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3880199-B1 COMPOUNDS THAT SELECTIVELY AND EFFECTIVELY INHIBIT HAKAI-MEDIATED UBIQUITINATION, AS ANTI-CANCER DRUGS FUNDACION PUBLICA GALLEGA DE INVESTIG BIOMEDICA INIBIC (ES) 2025-04-23 — — EP disclosed
CN-115768422-B Ubiquitin ligase inhibitors for the treatment of cancer 诺沃亚桑托斯教授基金会 2025-03-04 — — CN disclosed
US-20230181535-A1 UBIQUITIN-LIGASE INHIBITORS FOR THE TREATMENT OF CANCER FUND PROFESOR NOVOA SANTOS (ES) 2023-06-15 — — US disclosed
US-20230181535-A1 UBIQUITIN-LIGASE INHIBITORS FOR THE TREATMENT OF CANCER FUND PROFESOR NOVOA SANTOS (ES) 2023-06-15 — — US disclosed
US-20230181535-A1 UBIQUITIN-LIGASE INHIBITORS FOR THE TREATMENT OF CANCER FUND PROFESOR NOVOA SANTOS (ES) 2023-06-15 — — US disclosed
EP-3909577-A1 UBIQUITIN-LIGASE INHIBITORS FOR THE TREATMENT OF CANCER Fundación Profesor Novoa Santos (ES) 2021-11-17 — — EP disclosed
EP-3909577-A1 UBIQUITIN-LIGASE INHIBITORS FOR THE TREATMENT OF CANCER Fundación Profesor Novoa Santos (ES) 2021-11-17 — — EP disclosed
WO-2020099652-A1 COMPOUNDS THAT SELECTIVELY AND EFFECTIVELY INHIBIT HAKAI-MEDIATED UBIQUITINATION, AS ANTI-CANCER DRUGS FUNDACIÓN PROFESOR NOVOA SANTOS (ES) 2020-05-22 — — WO disclosed
EP-3653208-A1 COMPOUNDS THAT SELECTIVELY AND EFFECTIVELY INHIBIT HAKAI-MEDIATED UBIQUITINATION, AS ANTI-CANCER DRUGS Fundación Profesor Novoa Santos (ES) 2020-05-20 — — EP disclosed
EP-3653208-A1 COMPOUNDS THAT SELECTIVELY AND EFFECTIVELY INHIBIT HAKAI-MEDIATED UBIQUITINATION, AS ANTI-CANCER DRUGS Fundación Profesor Novoa Santos (ES) 2020-05-20 — — EP 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-20230181535-A1 UBIQUITIN-LIGASE INHIBITORS FOR THE TREATMENT OF CANCER XIAP, UBQLN1, MDM2 TSHR 4635/4885APOBEC3A 2751/4885APOBEC3G 2542/4885

“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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