SCHEMBL19982125

SCHEMBL19982125

COC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)CN1CCN(C(=O)[C@@H]2CCCN2C(C)=O)CC1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
YAP1 P46937 13/20 0.57
ACE P12821 3/20 0.49
PPARG P37231 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
GAA P10253 1/20 0.47

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
SCHEMBL19982124 0.93 CYP3A4 (0.53) YAP1ACECYP3A4CYP2D6CYP2C9
SCHEMBL22929113 0.90 ACE (0.46) YAP1ACECYP2D6CYP2C9CYP2C19
SCHEMBL19982078 0.89 YAP1 (0.72) YAP1ACE
SCHEMBL19982123 0.88 STAT3 (0.47) ACECYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL19975035 0.85 YAP1 (0.62) YAP1PPARGCYP3A4CYP2D6CYP2C9
SCHEMBL19974578 0.85 ALDH1A1 (0.55) ACE
SCHEMBL19975033 0.85 YAP1 (0.62) YAP1PPARGCYP3A4CYP2D6CYP2C9
SCHEMBL22929163 0.84 ACE (0.47) ACECYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL22929115 0.81 ITGB1 (0.46) ACE
SCHEMBL19982179 0.81 YAP1 (0.59) YAP1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11999695-B2 YAP1 inhibitors that target the interaction of YAP1 with OCT4 H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2024-06-04 US disclosed
US-20230234924-A1 YAP1 INHIBITORS THAT TARGET THE INTERACTION OF YAP1 WITH OCT4 H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. 2023-07-27 US disclosed
US-20230234924-A1 YAP1 INHIBITORS THAT TARGET THE INTERACTION OF YAP1 WITH OCT4 H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. 2023-07-27 US disclosed
US-20230234924-A1 YAP1 INHIBITORS THAT TARGET THE INTERACTION OF YAP1 WITH OCT4 H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. 2023-07-27 US disclosed
US-11530182-B2 YAP1 inhibitors that target the interaction of YAP1 with Oct4 H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2022-12-20 US disclosed
US-11530182-B2 YAP1 inhibitors that target the interaction of YAP1 with Oct4 H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2022-12-20 US disclosed
US-20210130297-A1 YAP1 INHIBITORS THAT TARGET THE INTERACTION OF YAP1 WITH OCT4 H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. 2021-05-06 US disclosed
US-10906874-B2 YAP1 inhibitors that target the interaction of YAP1 with OCT4 H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2021-02-02 US disclosed
WO-2018053446-A1 YAP1 INHIBITORS THAT TARGET THE INTERACTION OF YAP1 WITH OCT4 H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2018-03-22 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 (5 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-10906874-B2 YAP1 inhibitors that target the interaction of YAP1 with OCT4 YAP1, IWS1, YES1 YAP1 1/4885ACE 4580/4885PPARG 3505/4885
US-20210130297-A1 YAP1 INHIBITORS THAT TARGET THE INTERACTION OF YAP1 WITH OCT4 YAP1, YES1, MYC YAP1 1/4885ACE 4409/4885PPARG 3840/4885
US-11999695-B2 YAP1 inhibitors that target the interaction of YAP1 with OCT4 YAP1, YES1, MYC YAP1 1/4885ACE 4394/4885PPARG 3995/4885
US-20230234924-A1 YAP1 INHIBITORS THAT TARGET THE INTERACTION OF YAP1 WITH OCT4 YAP1, YES1, MYC YAP1 1/4885ACE 4394/4885PPARG 3995/4885
US-11530182-B2 YAP1 inhibitors that target the interaction of YAP1 with Oct4 YAP1, YES1, MYC YAP1 1/4885ACE 4409/4885PPARG 3840/4885

“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.