SCHEMBL20529124

SCHEMBL20529124

O=C(O)c1ccc2[nH]c(=O)n(C3CC3)c2c1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
B3GNT2 Q9NY97 2/20 0.52
PGR P06401 4/20 0.50
HSD11B1 P28845 5/20 0.48
USP2 O75604 1/20 0.48
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
AURKA O14965 1/20 0.47
AKT1 P31749 2/20 0.47
AKT2 P31751 2/20 0.47
AKT3 Q9Y243 1/20 0.47
CHRM2 P08172 1/20 0.46
CHRM4 P08173 1/20 0.46
CHRM5 P08912 1/20 0.46
CHRM1 P11229 1/20 0.46
CHRM3 P20309 1/20 0.46
KCNH2 Q12809 1/20 0.46
PLD2 O14939 2/20 0.46
PLD1 Q13393 2/20 0.46

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
SCHEMBL28354014 0.94 PGR (0.57) B3GNT2PGRHSD11B1USP2ALDH1A1
SCHEMBL20529154 0.83 ALDH1A1 (0.52) PGRHSD11B1USP2ALDH1A1LMNA
SCHEMBL24508493 0.81 IP6K1 (0.56) PGR
SCHEMBL24508181 0.81 IP6K1 (0.56) PGR
SCHEMBL29848182 0.81 IP6K1 (0.56) PGR
SCHEMBL3134355 0.81 USP2 (0.58) HSD11B1USP2ALDH1A1LMNAAURKA
SCHEMBL29848231 0.80 HSD11B1 (0.58) HSD11B1CHRM1
SCHEMBL24508938 0.80 HSD11B1 (0.58) HSD11B1CHRM1
SCHEMBL22728682 0.79 CRBN (0.46) B3GNT2ALDH1A1AURKACHRM2
SCHEMBL24508180 0.79 AVPR1A (0.56) HSD11B1CHRM1PLD2PLD1

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 4826/4885PGR 4402/4885HSD11B1 2763/4885

“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.