SCHEMBL21839375

SCHEMBL21839375

CC(C)n1c(=O)[nH]c2ccc(C(=O)O)cc21

nearest known ligand 0.75

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
B3GNT2 Q9NY97 6/20 0.75
PGR P06401 10/20 0.56
POLB P06746 2/20 0.55
MAOB P27338 1/20 0.49
AURKA O14965 1/20 0.48

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
SCHEMBL27295279 0.88 POLB (0.68) B3GNT2PGRPOLBAURKA
SCHEMBL31473364 0.88 POLB (0.68) B3GNT2PGRPOLBAURKA
SCHEMBL32663068 0.87 POLB (0.58) B3GNT2PGRPOLBMAOB
SCHEMBL20529180 0.84 B3GNT2 (0.57) B3GNT2PGRPOLBMAOB
SCHEMBL1759132 0.80 B3GNT2 (0.61) B3GNT2PGRMAOBAURKA
SCHEMBL2975327 0.78 POLB (0.62) B3GNT2PGRPOLBMAOB
SCHEMBL17807767 0.78 MAOB (0.68) B3GNT2PGRPOLBMAOB
SCHEMBL20987129 0.76 PGR (0.60) B3GNT2PGRPOLBMAOB
SCHEMBL29414802 0.76 PGR (0.60) B3GNT2PGRPOLBMAOB
SCHEMBL29464129 0.76 PGR (0.78) B3GNT2PGRPOLBMAOB

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 3 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
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

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 4826/4885PGR 4402/4885POLB 3806/4885

“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.