SCHEMBL20515883

SCHEMBL20515883

O=C(O)c1cnc(OCC(F)(F)F)c(C[SH](=O)=O)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.49
MRGPRX4 Q96LA9 3/20 0.36
RXRA P19793 2/20 0.35
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
MAPK1 P28482 1/20 0.35
KCNH2 Q12809 1/20 0.34
SCN5A Q14524 1/20 0.34
SCN2A Q99250 1/20 0.34
SCN10A Q9Y5Y9 1/20 0.34
EPHX2 P34913 3/20 0.34
HNF4A P41235 1/20 0.34
CNR1 P21554 1/20 0.34
KDM2B Q8NHM5 1/20 0.34
KDM4C Q9H3R0 1/20 0.34
GPBAR1 Q8TDU6 1/20 0.33
PTGS2 P35354 1/20 0.33
MAPT P10636 2/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL2716993 0.85 L3MBTL1 (0.52) L3MBTL1MRGPRX4RXRAALDH1A1POLB
SCHEMBL2715678 0.85 L3MBTL1 (0.52) L3MBTL1MRGPRX4RXRAALDH1A1POLB
SCHEMBL2715270 0.83 L3MBTL1 (0.51) L3MBTL1MRGPRX4RXRAALDH1A1POLB
SCHEMBL2715284 0.79 L3MBTL1 (0.47) L3MBTL1MRGPRX4RXRAALDH1A1POLB
SCHEMBL2716927 0.79 L3MBTL1 (0.55) L3MBTL1MRGPRX4RXRAALDH1A1POLB
SCHEMBL2716074 0.79 L3MBTL1 (0.55) L3MBTL1MRGPRX4RXRAALDH1A1POLB
SCHEMBL14762361 0.77 L3MBTL1 (0.54) L3MBTL1MRGPRX4RXRAALDH1A1POLB
SCHEMBL2715676 0.77 L3MBTL1 (0.54) L3MBTL1MRGPRX4RXRAALDH1A1POLB
SCHEMBL439221 0.77 L3MBTL1 (0.54) L3MBTL1MRGPRX4RXRAALDH1A1POLB
SCHEMBL2714025 0.77 L3MBTL1 (0.54) L3MBTL1MRGPRX4RXRAALDH1A1POLB

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-20180280352-A1 OCTAHYDRO-CYCLOBUTA[1,2-c;3,4-c']DIPYRROL-2-YL HOFFMANN-LA ROCHE INC. (US) 2018-10-04 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-20180280352-A1 OCTAHYDRO-CYCLOBUTA[1,2-c;3,4-c']DIPYRROL-2-YL NPY1R, NPY2R, DECR1 L3MBTL1 2060/4885MRGPRX4 760/4885RXRA 1597/4885

“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.