SCHEMBL22929145

SCHEMBL22929145

COC(=O)[C@H](CCc1ccccc1)NC(=O)CN1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
YAP1 P46937 2/20 0.51
ALDH1A1 P00352 3/20 0.49
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
MAPT P10636 1/20 0.49
HTT P42858 1/20 0.49
CHRM2 P08172 1/20 0.47
CHRM4 P08173 1/20 0.47
CHRM1 P11229 1/20 0.47
CHRM3 P20309 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
NFKB1 P19838 1/20 0.47
PSMB5 P28074 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
KDM4E B2RXH2 1/20 0.46
POLB P06746 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
SCHEMBL19982082 0.90 YAP1 (0.62) YAP1ALDH1A1KMT2AMEN1MAPT
SCHEMBL19982150 0.90 YAP1 (0.62) YAP1ALDH1A1KMT2AMEN1MAPT
SCHEMBL14347220 0.84 SIGMAR1 (0.50) ALDH1A1KMT2AMEN1MAPTHTT
SCHEMBL19982080 0.82 YAP1 (0.76) YAP1ALDH1A1KMT2AMEN1CYP3A4
SCHEMBL17706123 0.81 MMP12 (0.58) ALDH1A1KMT2AMEN1MAPTHTT
SCHEMBL22929163 0.78 ACE (0.47) ALDH1A1KMT2AMEN1MAPTHTT
SCHEMBL5859750 0.77 P2RX7 (0.55) YAP1KMT2AMEN1MAPTCYP3A4
SCHEMBL7032329 0.77 CTSK (0.68) CTSSCTSKKLK5
SCHEMBL6344320 0.77 CTSK (0.68) CTSSCTSKKLK5
SCHEMBL12560624 0.77 CTSK (0.68) CTSSCTSKKLK5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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-10906874-B2 YAP1 inhibitors that target the interaction of YAP1 with OCT4 YAP1, IWS1, YES1 YAP1 1/4885ALDH1A1 2865/4885KMT2A 1586/4885

“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.