SCHEMBL19982123

SCHEMBL19982123

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 1/20 0.47
KMT2A Q03164 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
MDM4 O15151 1/20 0.43
MDM2 Q00987 1/20 0.43
NLRP3 Q96P20 1/20 0.43
ALDH1A1 P00352 1/20 0.42
ATM Q13315 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ITGB1 P05556 1/20 0.42
ITGA4 P13612 1/20 0.42
DPP4 P27487 1/20 0.41
LNPEP Q9UIQ6 1/20 0.41
GAA P10253 1/20 0.41
ACE P12821 1/20 0.41
IL2RA P01589 1/20 0.41

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 0.92 CYP3A4 (0.53) STAT3CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL19982125 0.88 YAP1 (0.57) CYP3A4CYP2D6CYP2C9CYP2C19GAA
SCHEMBL19982076 0.87 YAP1 (0.54) KMT2ANPSR1IL2RAALBIL2
SCHEMBL19974578 0.83 ALDH1A1 (0.55) STAT3ALDH1A1ITGB1ITGA4ACE
SCHEMBL22929163 0.83 ACE (0.47) KMT2ACYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL22929115 0.80 ITGB1 (0.46) STAT3ALDH1A1ITGB1ITGA4ACE
SCHEMBL19982179 0.79 YAP1 (0.59) ATML3MBTL1GAAIL2RAALB
SCHEMBL22929132 0.79 YAP1 (0.47) ACEIL2RAALBIL2
SCHEMBL25922176 0.79 YAP1 (0.44) ACE
SCHEMBL19982077 0.77 YAP1 (0.55) KMT2ANPSR1MDM4MDM2LNPEP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 (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-10906874-B2 YAP1 inhibitors that target the interaction of YAP1 with OCT4 YAP1, IWS1, YES1 STAT3 94/4885KMT2A 1586/4885NPSR1 3696/4885
US-20210130297-A1 YAP1 INHIBITORS THAT TARGET THE INTERACTION OF YAP1 WITH OCT4 YAP1, YES1, MYC STAT3 131/4885KMT2A 1585/4885NPSR1 3618/4885
US-20230234924-A1 YAP1 INHIBITORS THAT TARGET THE INTERACTION OF YAP1 WITH OCT4 YAP1, YES1, MYC STAT3 174/4885KMT2A 1665/4885NPSR1 3611/4885
US-11530182-B2 YAP1 inhibitors that target the interaction of YAP1 with Oct4 YAP1, YES1, MYC STAT3 131/4885KMT2A 1585/4885NPSR1 3618/4885

“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.