SCHEMBL20529233

SCHEMBL20529233

CC(C)Cn1c(=O)[nH]c2ccc(CO)cc21

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
B3GNT2 Q9NY97 1/20 0.65
GRIN1 Q05586 1/20 0.56
GRIN2B Q13224 1/20 0.56
DAO P14920 3/20 0.41
MAOB P27338 2/20 0.41
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
CYP1A2 P05177 2/20 0.39
PGR P06401 4/20 0.39
IDO1 P14902 1/20 0.39
LMNA P02545 2/20 0.38
HTT P42858 1/20 0.38
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
TSHR P16473 1/20 0.37
NFKB1 P19838 1/20 0.37
BLM P54132 1/20 0.37
PMP22 Q01453 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL20529212 0.84 CYP1A2 (0.57) B3GNT2GRIN1GRIN2BDAOMAOB
SCHEMBL20529142 0.81 PGR (0.45) B3GNT2DAOMAOBKMT2AMEN1
SCHEMBL20529396 0.79 PGR (0.56) B3GNT2MAOBPGR
SCHEMBL20529102 0.77 MAOB (0.53) B3GNT2DAOMAOBPGRLMNA
SCHEMBL30279787 0.77 MAOB (0.53) B3GNT2DAOMAOBPGRLMNA
SCHEMBL20529240 0.77 MAOB (0.44) B3GNT2GRIN1GRIN2BDAOMAOB
SCHEMBL20529151 0.77 B3GNT2 (0.61) B3GNT2GRIN1GRIN2BDAOMAOB
SCHEMBL20529030 0.76 B3GNT2 (0.74) B3GNT2GRIN1GRIN2BKMT2AMEN1
SCHEMBL2267066 0.75 CYP1A2 (0.67) B3GNT2DAOKMT2AMEN1CYP1A2
SCHEMBL8348807 0.72 DAO (0.59) B3GNT2GRIN1GRIN2BDAOKMT2A

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 B3GNT2 4826/4885GRIN1 4448/4885GRIN2B 4684/4885

“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.