SCHEMBL20529032

SCHEMBL20529032

CC(C)n1c(=O)n(C(=O)OC(C)(C)C)c2ccc(/C=N/NC(=O)OC(C)(C)C)cc21

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.51
▸ MIF P14174 1/20 0.50
▸ SMN1; SMN2 Q16637 7/20 0.49
▸ RAB9A P51151 6/20 0.49
▸ NPC1 O15118 4/20 0.49
▸ RECQL P46063 1/20 0.49
▸ MAPT P10636 6/20 0.48
▸ KMT2A Q03164 4/20 0.41
▸ ALDH1A1 P00352 4/20 0.41
▸ LMNA P02545 1/20 0.41
▸ MEN1 O00255 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ RXFP1 Q9HBX9 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
SCHEMBL20529253 0.86 KDM4E (0.54) KDM4EMIFSMN1; SMN2RAB9ANPC1
SCHEMBL20529083 0.84 KDM4E (0.51) KDM4EMIFSMN1; SMN2RAB9ANPC1
SCHEMBL20529056 0.79 KDM4E (0.32) KDM4ERAB9ANPC1MAPT
SCHEMBL20529114 0.78 KDM4E (0.52) KDM4EMIFSMN1; SMN2RAB9ANPC1
SCHEMBL20529273 0.76 MAP4K1 (0.31) —
SCHEMBL28353847 0.73 HTR4 (0.47) —
SCHEMBL23241902 0.71 MAPT (0.74) KDM4EMIFSMN1; SMN2RAB9ANPC1
SCHEMBL23241901 0.71 MAPT (0.74) KDM4EMIFSMN1; SMN2RAB9ANPC1
SCHEMBL20529237 0.70 KDM4E (0.55) KDM4EMIFSMN1; SMN2RAB9ANPC1
SCHEMBL13903541 0.70 MIF (0.68) KDM4EMIFSMN1; SMN2RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3606921-B1 NEW COMPOUNDS INHIBITORS OF THE YAP/TAZ-TEAD INTERACTION AND THEIR USE IN THE TREATMENT OF MALIGNANT MESOTHELIOMA. INVENTIVA (FR) 2022-06-01 — — EP disclosed
US-20200115353-A1 NEW COMPOUNDS INHIBITORS OF THE YAP/TAZ-TEAD INTERACTION AND THEIR USE IN THE TREATMENT OF MALIGNANT MESOTHELIOMA INVENTIVA (FR) 2020-04-16 — — US disclosed
EP-3606921-A1 NEW COMPOUNDS INHIBITORS OF THE YAP/TAZ-TEAD INTERACTION AND THEIR USE IN THE TREATMENT OF MALIGNANT MESOTHELIOMA. Inventiva (FR) 2020-02-12 — — EP disclosed
CN-110709396-A Novel compound inhibitors of the YAP/TAZ-TEAD interaction and their use in the treatment of malignant mesothelioma 伊文蒂瓦公司 2020-01-17 — — CN disclosed
WO-2018185266-A1 NEW COMPOUNDS INHIBITORS OF THE YAP/TAZ-TEAD INTERACTION AND THEIR USE IN THE TREATMENT OF MALIGNANT MESOTHELIOMA. INVENTIVA (FR) 2018-10-11 — — 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-20200115353-A1 NEW COMPOUNDS INHIBITORS OF THE YAP/TAZ-TEAD INTERACTION AND THEIR USE IN THE TREATMENT OF MALIGNANT MESOTHELIOMA YAP1, TEAD2, TEAD1 KDM4E 1436/4885MIF 2467/4885SMN1; SMN2 3978/4885

“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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