SCHEMBL21358985

SCHEMBL21358985

CCOc1ccc(CCC(=O)N2CCC(CC(=O)N[C@@H](Cc3ccc(Cl)cc3)C(=O)O)CC2)cc1

nearest known ligand 0.74

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
YAP1 P46937 17/20 0.74
ACACB O00763 1/20 0.48
ITGB3 P05106 1/20 0.46
ITGA2B P08514 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
SCHEMBL21366293 1.00 YAP1 (0.74) YAP1ACACBITGB3ITGA2B
SCHEMBL25756608 0.94 YAP1 (0.65) YAP1ACACB
SCHEMBL25922291 0.93 YAP1 (0.72) YAP1ITGB3ITGA2B
SCHEMBL21366480 0.92 YAP1 (0.81) YAP1ACACB
SCHEMBL21366278 0.92 YAP1 (0.81) YAP1ACACB
SCHEMBL21358892 0.92 YAP1 (0.75) YAP1ACACBITGB3ITGA2B
SCHEMBL21366291 0.92 YAP1 (0.75) YAP1ACACB
SCHEMBL21359060 0.92 YAP1 (0.75) YAP1ACACB
SCHEMBL21366485 0.92 YAP1 (0.75) YAP1ACACBITGB3ITGA2B
SCHEMBL21358889 0.92 YAP1 (0.69) YAP1ACACBITGB3ITGA2B

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11685725-B2 YAP1 inhibitors that target the interaction of YAP1 with OCT4 H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2023-06-27 US disclosed
US-11685725-B2 YAP1 inhibitors that target the interaction of YAP1 with OCT4 H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2023-06-27 US disclosed
US-20210363128-A1 YAP1 INHIBITORS THAT TARGET THE INTERACTION OF YAP1 WITH OCT4 H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. 2021-11-25 US disclosed
EP-3765015-A1 YAP1 INHIBITORS THAT TARGET THE INTERACTION OF YAP1 WITH OCT4 H. Lee Moffitt Cancer Center & Research Institute, Inc. (US) 2021-01-20 EP disclosed
CN-111989100-A YAP1 inhibitors targeting YAP1 interaction with OCT4 H·李·莫菲特癌症中心研究有限公司 2020-11-24 CN disclosed
WO-2019178401-A1 YAP1 INHIBITORS THAT TARGET THE INTERACTION OF YAP1 WITH OCT4 H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2019-09-19 WO disclosed
WO-2019178401-A1 YAP1 INHIBITORS THAT TARGET THE INTERACTION OF YAP1 WITH OCT4 H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2019-09-19 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 (2 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-11685725-B2 YAP1 inhibitors that target the interaction of YAP1 with OCT4 YAP1, YES1, MYC YAP1 1/4885ACACB 4559/4885ITGB3 4602/4885
US-20210363128-A1 YAP1 INHIBITORS THAT TARGET THE INTERACTION OF YAP1 WITH OCT4 YAP1, MYC, YES1 YAP1 1/4885ACACB 4550/4885ITGB3 4589/4885

“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.