SCHEMBL23014716

SCHEMBL23014716

CCSCCCCCCCCCCCCCCCCCC(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CES1 P23141 5/20 0.38
FAAH O00519 4/20 0.38
CES2 O00748 3/20 0.38
PLA2G6 O60733 1/20 0.38
TSHR P16473 1/20 0.37
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
KMT2A Q03164 1/20 0.31
BCL2L1 Q07817 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
BCL2L2 Q92843 1/20 0.31
GMNN O75496 1/20 0.30
TP53 P04637 1/20 0.30
POLB P06746 1/20 0.30
MAPT P10636 1/20 0.30
THRB P10828 1/20 0.30
CYP2C9 P11712 1/20 0.30
BLM P54132 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL23014930 1.00 CES1 (0.38) CES1FAAHCES2PLA2G6TSHR
SCHEMBL23014800 1.00 CES1 (0.38) CES1FAAHCES2PLA2G6TSHR
SCHEMBL23014941 0.84 FAAH (0.41) CES1FAAHCES2PLA2G6MEN1
SCHEMBL23015197 0.82 CES1 (0.36) CES1FAAHCES2PLA2G6TSHR
SCHEMBL776526 0.79
SCHEMBL28305438 0.79 TSHR (0.50) CES1FAAHCES2PLA2G6TSHR
SCHEMBL7155300 0.79 TSHR (0.50) CES1FAAHCES2PLA2G6TSHR
SCHEMBL9007915 0.79 TSHR (0.50) CES1FAAHCES2PLA2G6TSHR
SCHEMBL23014970 0.78 FAAH (0.32) CES1FAAHCES2PLA2G6
SCHEMBL23014967 0.78 TSHR (0.38) CES1FAAHCES2PLA2G6TSHR

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-20220298185-A1 Nucleoside Prodrugs and Uses Related Thereto UNIV EMORY (US) 2022-09-22 US claimed
EP-4017499-A1 NUCLEOSIDE PRODRUGS AND USES RELATED THERETO Emory University (US) 2022-06-29 EP claimed
WO-2021035214-A1 NUCLEOSIDE PRODRUGS AND USES RELATED THERETO EMORY UNIVERSITY (US) 2021-02-25 WO claimed

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-20220298185-A1 Nucleoside Prodrugs and Uses Related Thereto PNPO, GSTO1, CYP2C18 CES1 33/4885FAAH 445/4885CES2 318/4885

“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.