SCHEMBL22929115

SCHEMBL22929115

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

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 2/20 0.46
ITGA4 P13612 2/20 0.46
ALDH1A1 P00352 1/20 0.46
STAT3 P40763 1/20 0.44
PREP P48147 1/20 0.43
LTA4H P09960 5/20 0.43
ACE P12821 4/20 0.43
POLB P06746 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ACE2 Q9BYF1 2/20 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
SCHEMBL22929113 0.93 ACE (0.46) ITGB1ITGA4ALDH1A1STAT3PREP
SCHEMBL19982124 0.88 CYP3A4 (0.53) ITGB1ITGA4ALDH1A1STAT3ACE
SCHEMBL22929164 0.87 ITGB1 (0.46) ITGB1ITGA4PREPLTA4HACE
SCHEMBL19974578 0.87 ALDH1A1 (0.55) ITGB1ITGA4ALDH1A1STAT3ACE
SCHEMBL22929163 0.83 ACE (0.47) ITGB1ITGA4ALDH1A1ACEPOLB
SCHEMBL19982125 0.81 YAP1 (0.57) ACE
SCHEMBL22929165 0.80 YAP1 (0.57) ACE
SCHEMBL19982123 0.80 STAT3 (0.47) ITGB1ITGA4ALDH1A1STAT3ACE
SCHEMBL19982261 0.77 LMNA (0.51) ALDH1A1ACEPOLBKDM4EACE2
SCHEMBL9279601 0.76 CTRB1 (0.51) PREPLTA4HACEACE2

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 ITGB1 4473/4885ITGA4 3842/4885ALDH1A1 2865/4885

“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.