SCHEMBL20529142

SCHEMBL20529142

CCCn1c(=O)[nH]c2ccc(CO)cc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 6/20 0.45
MEN1 O00255 2/20 0.43
CYP1A2 P05177 2/20 0.43
KMT2A Q03164 2/20 0.43
B3GNT2 Q9NY97 1/20 0.43
RAB9A P51151 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
ADORA2B P29275 1/20 0.42
ADORA1 P30542 1/20 0.42
MAOB P27338 2/20 0.42
LMNA P02545 2/20 0.41
TSHR P16473 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
NFKB1 P19838 1/20 0.41
BLM P54132 1/20 0.41
PMP22 Q01453 1/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41

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 0.88 CYP1A2 (0.57) PGRMEN1CYP1A2KMT2AB3GNT2
SCHEMBL20529102 0.81 MAOB (0.53) PGRB3GNT2ADORA3ADORA2BADORA1
SCHEMBL30279787 0.81 MAOB (0.53) PGRB3GNT2ADORA3ADORA2BADORA1
SCHEMBL20529233 0.81 B3GNT2 (0.65) PGRMEN1CYP1A2KMT2AB3GNT2
SCHEMBL20529240 0.78 MAOB (0.44) PGRMEN1CYP1A2KMT2AB3GNT2
SCHEMBL20529343 0.77 PGR (0.45) PGRMEN1CYP1A2KMT2AB3GNT2
SCHEMBL20529246 0.76 MAOB (0.43) PGRMEN1CYP1A2KMT2ARAB9A
SCHEMBL20529396 0.75 PGR (0.56) PGRB3GNT2MAOB
SCHEMBL29695523 0.74 CYP1A2 (0.74) MEN1CYP1A2KMT2ARAB9AADORA3
SCHEMBL763168 0.74 CYP1A2 (0.74) MEN1CYP1A2KMT2ARAB9AADORA3

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 PGR 4402/4885MEN1 376/4885CYP1A2 4145/4885

“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.