SCHEMBL19982124

SCHEMBL19982124

COC(=O)[C@H](Cc1ccccc1)NC(=O)CN1CCN(C(=O)[C@@H]2CCCN2C(C)=O)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
ALDH1A1 P00352 1/20 0.53
ATM Q13315 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
GAA P10253 1/20 0.51
POLB P06746 2/20 0.48
GFER P55789 1/20 0.48
ACE P12821 3/20 0.46
FAP Q12884 1/20 0.46
ITGB1 P05556 1/20 0.46
ITGA4 P13612 1/20 0.46
STAT3 P40763 1/20 0.45
KDM4E B2RXH2 1/20 0.45
IL2RA P01589 1/20 0.45
ALB P02768 1/20 0.45
IL2 P60568 1/20 0.45
YAP1 P46937 2/20 0.45

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
SCHEMBL19982125 0.93 YAP1 (0.57) CYP3A4CYP2D6CYP2C9CYP2C19GAA
SCHEMBL19982123 0.92 STAT3 (0.47) CYP3A4CYP2D6CYP2C9CYP2C19ALDH1A1
SCHEMBL19974578 0.92 ALDH1A1 (0.55) ALDH1A1POLBACEITGB1ITGA4
SCHEMBL22929163 0.91 ACE (0.47) CYP3A4CYP2D6CYP2C9CYP2C19ALDH1A1
SCHEMBL22929115 0.88 ITGB1 (0.46) ALDH1A1POLBACEITGB1ITGA4
SCHEMBL19982179 0.87 YAP1 (0.59) ATML3MBTL1GAAIL2RAALB
SCHEMBL22929113 0.81 ACE (0.46) CYP2D6CYP2C9CYP2C19ALDH1A1L3MBTL1
SCHEMBL19982078 0.81 YAP1 (0.72) ACEIL2RAALBIL2YAP1
SCHEMBL19982076 0.79 YAP1 (0.54) IL2RAALBIL2YAP1
SCHEMBL19975557 0.78 YAP1 (0.54) ALDH1A1POLBACEYAP1ACE2

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 8 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
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 (4 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-20210130297-A1 YAP1 INHIBITORS THAT TARGET THE INTERACTION OF YAP1 WITH OCT4 YAP1, YES1, MYC CYP3A4 4543/4885CYP2D6 4546/4885CYP2C9 4541/4885
US-11999695-B2 YAP1 inhibitors that target the interaction of YAP1 with OCT4 YAP1, YES1, MYC CYP3A4 4446/4885CYP2D6 4493/4885CYP2C9 4485/4885
US-20230234924-A1 YAP1 INHIBITORS THAT TARGET THE INTERACTION OF YAP1 WITH OCT4 YAP1, YES1, MYC CYP3A4 4446/4885CYP2D6 4493/4885CYP2C9 4485/4885
US-11530182-B2 YAP1 inhibitors that target the interaction of YAP1 with Oct4 YAP1, YES1, MYC CYP3A4 4543/4885CYP2D6 4546/4885CYP2C9 4541/4885

“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.