SCHEMBL20529148

SCHEMBL20529148

CCC1(CC)C(=O)N(C(=O)OC(C)(C)C)c2ccc(/C=N/NC(=O)OC(C)(C)C)cc21

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.49
▸ RAB9A P51151 6/20 0.48
▸ MAPT P10636 6/20 0.48
▸ NPC1 O15118 4/20 0.48
▸ MIF P14174 1/20 0.48
▸ SMN1; SMN2 Q16637 6/20 0.47
▸ RECQL P46063 1/20 0.47
▸ KMT2A Q03164 4/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ LMNA P02545 2/20 0.40
▸ POLB P06746 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
SCHEMBL20529260 0.86 KDM4E (0.34) KDM4ERAB9AMAPTNPC1MIF
SCHEMBL28357579 0.83 BCHE (0.35) SMN1; SMN2KMT2AALDH1A1POLB
SCHEMBL20529005 0.81 KDM4E (0.32) KDM4ERAB9AMAPTNPC1
SCHEMBL20529386 0.80 — —
SCHEMBL20529125 0.78 — —
SCHEMBL20529037 0.78 PDE4A (0.31) —
SCHEMBL20529231 0.78 KDM4E (0.53) KDM4ERAB9AMAPTNPC1MIF
SCHEMBL28354201 0.74 BCHE (0.49) MAPTALDH1A1POLB
SCHEMBL20529253 0.72 KDM4E (0.54) KDM4ERAB9AMAPTNPC1MIF
SCHEMBL21839421 0.72 MAPT (0.41) KDM4ERAB9AMAPTNPC1MIF

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 1436/4885RAB9A 285/4885MAPT 1811/4885

“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.

Send feedback