SCHEMBL25756608

SCHEMBL25756608

CCOc1ccc(CCC(=O)N2CCC(CC(=O)N[C@@H](CCc3ccc(Cl)cc3)C(=O)O)CC2)cc1

nearest known ligand 0.65

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
YAP1 P46937 16/20 0.65
CCR1 P32246 1/20 0.45
ACACB O00763 1/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
HPGD P15428 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL21366293 0.94 YAP1 (0.74) YAP1ACACB
SCHEMBL21358985 0.94 YAP1 (0.74) YAP1ACACB
SCHEMBL25756628 0.92 YAP1 (0.67) YAP1ACACBKMT2A
SCHEMBL22929172 0.90 YAP1 (0.81) YAP1
SCHEMBL21366278 0.88 YAP1 (0.81) YAP1ACACB
SCHEMBL21366480 0.88 YAP1 (0.81) YAP1ACACB
SCHEMBL25922291 0.87 YAP1 (0.72) YAP1
SCHEMBL21366440 0.87 YAP1 (0.69) YAP1ACACB
SCHEMBL21358889 0.87 YAP1 (0.69) YAP1ACACB
SCHEMBL21366485 0.86 YAP1 (0.75) YAP1ACACB

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-11685725-B2 YAP1 inhibitors that target the interaction of YAP1 with OCT4 H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2023-06-27 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-11685725-B2 YAP1 inhibitors that target the interaction of YAP1 with OCT4 YAP1, YES1, MYC YAP1 1/4885CCR1 4761/4885ACACB 4559/4885

“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.