SCHEMBL21952069

SCHEMBL21952069

CS(=O)(=O)Nc1ccc(C(=O)CSc2nnnn2-c2ccc(C(=O)O)cc2C2CC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 10/20 0.44
▸ GAA P10253 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ LMNA P02545 6/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ NPSR1 Q6W5P4 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ MAPT P10636 5/20 0.41
▸ TSHR P16473 3/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ ALPL P05186 1/20 0.40
▸ ALPG P10696 1/20 0.40
▸ CPB1 P15086 1/20 0.40
▸ HTT P42858 1/20 0.39
▸ USP2 O75604 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ MEN1 O00255 1/20 0.38

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
SCHEMBL29798375 1.00 ALDH1A1 (0.44) ALDH1A1GAARAB9ALMNAMAPK1
SCHEMBL31396338 0.89 ALPL (0.43) ALDH1A1GAALMNAMAPK1NPSR1
SCHEMBL21952011 0.85 LMNA (0.47) ALDH1A1GAARAB9ALMNAMAPK1
SCHEMBL21952098 0.81 MAPT (0.56) ALDH1A1GAALMNAMAPK1NPSR1
SCHEMBL29798210 0.80 MAPT (0.47) ALDH1A1GAARAB9ALMNAMAPK1
SCHEMBL31396222 0.74 ALPL (0.47) ALDH1A1GAALMNAMAPK1NPSR1
SCHEMBL21952094 0.72 ALDH1A1 (0.60) ALDH1A1LMNAMAPK1NPSR1TSHR
SCHEMBL31396379 0.72 ALDH1A1 (0.60) ALDH1A1LMNAMAPK1NPSR1TSHR
SCHEMBL21952071 0.71 TSHR (0.52) ALDH1A1GAALMNAMAPK1MAPT
SCHEMBL30278740 0.71 TSHR (0.52) ALDH1A1GAALMNAMAPK1MAPT

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 9 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
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-20220016080-A1 COMPOUNDS THAT SELECTIVELY AND EFFECTIVELY INHIBIT HAKAI-MEDIATED UBIQUITINATION, AS ANTI-CANCER DRUGS FUND PROFESOR NOVOA SANTOS (ES) 2022-01-20 — — 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 (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-20230181535-A1 UBIQUITIN-LIGASE INHIBITORS FOR THE TREATMENT OF CANCER XIAP, UBQLN1, MDM2 ALDH1A1 1206/4885GAA 526/4885RAB9A 3888/4885
US-20220016080-A1 COMPOUNDS THAT SELECTIVELY AND EFFECTIVELY INHIBIT HAKAI-MEDIATED UBIQUITINATION, AS ANTI-CANCER DRUGS CHUK, HIPK3, HIPK1 ALDH1A1 967/4885GAA 727/4885RAB9A 1209/4885

“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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