SCHEMBL23901512

SCHEMBL23901512

CC(C)N[C@@H](Cc1cccc(Cl)c1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.53
CTSL P07711 13/20 0.50
CTSV O60911 12/20 0.50
CTSS P25774 12/20 0.50
CTSK P43235 8/20 0.50
CTSB P07858 8/20 0.50
MAPK1 P28482 1/20 0.50
FOLH1 Q04609 2/20 0.46
FPR2 P25090 1/20 0.45

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
SCHEMBL21400205 0.87 PNMT (0.51) PNMTCTSLCTSVCTSSCTSK
SCHEMBL805207 0.85 CTSL (0.52) PNMTCTSLCTSVCTSSCTSK
SCHEMBL16287362 0.85 CTSL (0.52) PNMTCTSLCTSVCTSSCTSK
SCHEMBL31369749 0.85 CTSL (0.52) PNMTCTSLCTSVCTSSCTSK
SCHEMBL29539732 0.85 CTSL (0.52) PNMTCTSLCTSVCTSSCTSK
Hydrochloric Acid SCHEMBL16289133 0.84 CTSL (0.51) PNMTCTSLCTSVCTSSCTSK
SCHEMBL13957285 0.84 MME (0.60) CTSLCTSSCTSKCTSBFOLH1
SCHEMBL8254871 0.83 MAPK1 (0.55) PNMTCTSLCTSVCTSSCTSK
SCHEMBL5870478 0.83 MAPK1 (0.55) PNMTCTSLCTSVCTSSCTSK
SCHEMBL123574 0.82 MME (0.58)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230143470-A1 SMALL MOLECULE INHIBITORS OF INFLUENZA HEMAGGLUTININ NATIONAL INSTITUTES OF HEALTH 2023-05-11 US disclosed
US-20230143470-A1 SMALL MOLECULE INHIBITORS OF INFLUENZA HEMAGGLUTININ NATIONAL INSTITUTES OF HEALTH 2023-05-11 US disclosed
WO-2021202600-A1 SMALL MOLECULE INHIBITORS OF INFLUENZA HEMAGGLUTININ THE SCRIPPS RESEARCH INSTITUTE (US) 2021-10-07 WO 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-20230143470-A1 SMALL MOLECULE INHIBITORS OF INFLUENZA HEMAGGLUTININ HAVCR2, CD44, ENGASE PNMT 3397/4885CTSL 531/4885CTSV 332/4885

“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.