SCHEMBL25850988

SCHEMBL25850988

CC(=O)c1cc(F)c(C(C)C)c(CO)c1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.45
CA5A P35218 1/20 0.34
ACE2 Q9BYF1 1/20 0.34
MAOB P27338 4/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CYP4F2 P78329 2/20 0.32
CYP4A11 Q02928 2/20 0.32
ALDH1A1 P00352 2/20 0.31
HIF1A Q16665 1/20 0.31
GAA P10253 1/20 0.31
MAOA P21397 1/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL23635802 0.85 DPP4 (0.35) PKMACE2MAOB
SCHEMBL19365250 0.84 CA5A (0.43) CA5AMAOBCA1CA2MAOA
SCHEMBL22380037 0.74 GCGR (0.36)
SCHEMBL21756926 0.74 GABRA1 (0.35)
SCHEMBL24038460 0.72 CA5A (0.43) CA5AMAOBCA1CA2MAOA
SCHEMBL24329491 0.72 PKM (0.59) PKMMAOBALDH1A1GAAMAOA
SCHEMBL12253686 0.70 PKM (0.57) PKMCA5ACA2ALDH1A1HTT
SCHEMBL16592863 0.68 CA5A (0.39) PKMCA5AALDH1A1HIF1A
SCHEMBL19105527 0.67 PARP1 (0.39) HTT
SCHEMBL823677 0.67 CES2 (0.64) CA5AMAOBCA1CA2ALDH1A1

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-20230227423-A1 SUBSTITUTED CONDENSED THIOPHENES AS MODULATORS OF STING CTXT PTY LTD (AU) 2023-07-20 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-20230227423-A1 SUBSTITUTED CONDENSED THIOPHENES AS MODULATORS OF STING STING1, CGAS, IRF3 PKM 3886/4885CA5A 746/4885ACE2 3673/4885

“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.