SCHEMBL25922264

SCHEMBL25922264

COC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.56
CTSL P07711 2/20 0.51
LTA4H P09960 1/20 0.51
YAP1 P46937 3/20 0.50
MAPT P10636 1/20 0.50
GAA P10253 1/20 0.50
RAB9A P51151 1/20 0.50
MAOB P27338 1/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49

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
SCHEMBL2747164 0.91 KDM4A (0.57) PPARGMAPT
SCHEMBL8387599 0.87 BCL2 (0.56) PPARGCTSLYAP1
SCHEMBL10445399 0.86 CTSL (0.65) CTSLMAPTMEN1KMT2A
SCHEMBL1309025 0.86 GAA (0.50) MAPTGAARAB9AMEN1KMT2A
SCHEMBL10445398 0.86 CTSL (0.65) CTSLMAPTMEN1KMT2A
SCHEMBL1309029 0.86 GAA (0.50) MAPTGAARAB9AMEN1KMT2A
SCHEMBL4934272 0.85 BCL2 (0.53) PPARGYAP1MAOB
SCHEMBL10201897 0.85 CTSL (0.46) CTSLMAPTRAB9AMEN1KMT2A
SCHEMBL19867063 0.84 ITGA4 (0.51) CTSLMEN1KMT2A
SCHEMBL16552342 0.84 PPARG (0.69) PPARGLTA4HYAP1GAARAB9A

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-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

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-20230234924-A1 YAP1 INHIBITORS THAT TARGET THE INTERACTION OF YAP1 WITH OCT4 YAP1, YES1, MYC PPARG 3995/4885CTSL 4621/4885LTA4H 4828/4885

“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.