SCHEMBL23296281

SCHEMBL23296281

C#CCNC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 1/20 0.59
MMP8 P22894 1/20 0.59
PPARG P37231 5/20 0.55
MME P08473 1/20 0.54
ACE P12821 1/20 0.54
CPA1 P15085 1/20 0.54
ACE2 Q9BYF1 1/20 0.54
CTSL P07711 2/20 0.52
CTSB P07858 2/20 0.52
CTSS P25774 2/20 0.52
CTSK P43235 1/20 0.52
ALDH1A1 P00352 1/20 0.52
PLG P00747 1/20 0.52
PRSS1 P07477 1/20 0.52
PRSS2 P07478 1/20 0.52
PRSS3 P35030 1/20 0.52
GPR34 Q9UPC5 2/20 0.51
MAOA P21397 1/20 0.50
MAOB P27338 1/20 0.50
LTA4H P09960 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
SCHEMBL23296282 1.00 MMP9 (0.59) MMP9MMP8PPARGMMEACE
SCHEMBL19982258 0.87 CTSS (0.65) CTSLCTSBCTSSCTSK
SCHEMBL11513382 0.86 MMP9 (0.58) MMP9MMP8PPARGMMEACE
SCHEMBL20268332 0.85 MMP9 (0.78) MMP9MMP8PPARGMMEACE
SCHEMBL20268330 0.85 MMP9 (0.78) MMP9MMP8PPARGMMEACE
SCHEMBL3789073 0.80 PPARG (0.68) MMP9MMP8PPARGMMEACE
SCHEMBL3789070 0.80 PPARG (0.68) MMP9MMP8PPARGMMEACE
SCHEMBL5529476 0.79 CTSL (0.78) CTSLCTSBCTSSCTSK
SCHEMBL7315978 0.78 PPARG (0.56) MMP9MMP8PPARGMMEACE
SCHEMBL7315990 0.78 PPARG (0.56) MMP9MMP8PPARGMMEACE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20210130297-A1 YAP1 INHIBITORS THAT TARGET THE INTERACTION OF YAP1 WITH OCT4 YAP1, YES1, MYC MMP9 4193/4885MMP8 4777/4885PPARG 3840/4885
US-11530182-B2 YAP1 inhibitors that target the interaction of YAP1 with Oct4 YAP1, YES1, MYC MMP9 4193/4885MMP8 4777/4885PPARG 3840/4885

“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.