SCHEMBL20529154

SCHEMBL20529154

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
MAPK1 P28482 1/20 0.52
HSD11B1 P28845 6/20 0.48
USP2 O75604 1/20 0.47
LMNA P02545 1/20 0.47
PGR P06401 2/20 0.46
PLD2 O14939 4/20 0.46
PLD1 Q13393 4/20 0.46
CREBBP Q92793 1/20 0.46
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
ADRB2 P07550 1/20 0.46
ADRB1 P08588 1/20 0.46
ADRB3 P13945 1/20 0.46
ADRA1D P25100 1/20 0.46
ADRA1A P35348 1/20 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
SCHEMBL20529086 0.95 PGR (0.53) ALDH1A1MAPK1HSD11B1USP2LMNA
SCHEMBL24508359 0.93 ALDH1A1 (0.48) ALDH1A1MAPK1HSD11B1USP2LMNA
Hydrochloric Acid SCHEMBL29848360 0.92 ALDH1A1 (0.48) ALDH1A1MAPK1HSD11B1USP2LMNA
SCHEMBL24508419 0.90 ALDH1A1 (0.46) ALDH1A1MAPK1HSD11B1USP2LMNA
SCHEMBL18477021 0.90 ALDH1A1 (0.58) ALDH1A1MAPK1HSD11B1USP2LMNA
Hydrochloric Acid SCHEMBL29848451 0.89 ALDH1A1 (0.45) ALDH1A1MAPK1HSD11B1USP2LMNA
SCHEMBL24508966 0.88 ALDH1A1 (0.45) ALDH1A1MAPK1HSD11B1USP2LMNA
SCHEMBL24508182 0.88 ALDH1A1 (0.45) ALDH1A1MAPK1HSD11B1USP2LMNA
Hydrochloric Acid SCHEMBL29847438 0.87 ALDH1A1 (0.44) ALDH1A1MAPK1HSD11B1USP2LMNA
Hydrochloric Acid SCHEMBL29848455 0.87 ALDH1A1 (0.44) ALDH1A1MAPK1HSD11B1USP2LMNA

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 ALDH1A1 3397/4885MAPK1 801/4885HSD11B1 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.