SCHEMBL22010389

SCHEMBL22010389

O=C(CSc1nnnn1-c1ccc(C(=O)O)cc1)NCc1ccccc1

nearest known ligand 0.72

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 3/20 0.69
▸ ALDH1A1 P00352 5/20 0.69
▸ MAPK1 P28482 3/20 0.69
▸ NPSR1 Q6W5P4 1/20 0.64
▸ CYP1A2 P05177 1/20 0.62
▸ CYP3A4 P08684 1/20 0.62
▸ CYP2D6 P10635 1/20 0.62
▸ CYP2C19 P33261 1/20 0.62
▸ MEN1 O00255 4/20 0.61
▸ KMT2A Q03164 4/20 0.61
▸ POLB P06746 3/20 0.58
▸ L3MBTL1 Q9Y468 1/20 0.58
▸ ATM Q13315 1/20 0.57
▸ MAPT P10636 1/20 0.57

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
SCHEMBL21952078 0.91 ALDH1A1 (0.61) HPGDALDH1A1MAPK1NPSR1CYP1A2
SCHEMBL24209791 0.90 ALDH1A1 (0.66) HPGDALDH1A1MAPK1NPSR1CYP1A2
SCHEMBL24210198 0.90 KDM4E (0.64) HPGDALDH1A1MAPK1NPSR1CYP1A2
SCHEMBL24029199 0.89 ALDH1A1 (0.70) HPGDALDH1A1NPSR1CYP1A2CYP3A4
SCHEMBL21952070 0.89 MEN1 (0.61) HPGDALDH1A1MAPK1NPSR1CYP1A2
SCHEMBL31396394 0.89 MEN1 (0.61) HPGDALDH1A1MAPK1NPSR1CYP1A2
SCHEMBL21952075 0.88 MEN1 (0.65) HPGDALDH1A1MAPK1NPSR1CYP1A2
SCHEMBL31396071 0.88 MEN1 (0.65) HPGDALDH1A1MAPK1NPSR1CYP1A2
SCHEMBL24210197 0.88 ALDH1A1 (0.83) HPGDALDH1A1MAPK1NPSR1CYP1A2
SCHEMBL21952099 0.86 NPSR1 (0.56) HPGDALDH1A1MAPK1NPSR1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
WO-2021229035-A1 UBIQUITIN-LIGASE INHIBITORS FOR THE TREATMENT OF CANCER FUNDACIÓN PROFESOR NOVOA SANTOS (ES) 2021-11-18 — — WO 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

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 HPGD 2761/4885ALDH1A1 1206/4885MAPK1 3830/4885
US-20220016080-A1 COMPOUNDS THAT SELECTIVELY AND EFFECTIVELY INHIBIT HAKAI-MEDIATED UBIQUITINATION, AS ANTI-CANCER DRUGS CHUK, HIPK3, HIPK1 HPGD 1570/4885ALDH1A1 967/4885MAPK1 762/4885

“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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