SCHEMBL6744367

SCHEMBL6744367

O=C(O)COc1ccc(F)c(F)c1F

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.53
TDP1 Q9NUW8 2/20 0.51
PTGER2 P43116 7/20 0.50
GLA P06280 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
PTGDR2 Q9Y5Y4 5/20 0.48
MAPT P10636 1/20 0.47
FFAR1 O14842 1/20 0.47
PPARG P37231 1/20 0.47
PPARD Q03181 1/20 0.47
TSHR P16473 1/20 0.46
POLB P06746 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL18936623 0.84 PKM (0.49) PKMTDP1PTGER2GLAL3MBTL1
SCHEMBL22601790 0.81 TDP1 (0.57) PKMTDP1PTGER2GLAL3MBTL1
SCHEMBL201279 0.81 PKM (0.46) PKMTDP1PTGER2PTGDR2MAPT
SCHEMBL7963576 0.79 TDP1 (0.54) PKMTDP1GLAL3MBTL1PTGDR2
SCHEMBL25354027 0.79 PTGDR2 (0.48) PKMTDP1GLAL3MBTL1PTGDR2
SCHEMBL4951982 0.79 FFAR4 (0.45) PTGDR2FFAR1TSHR
SCHEMBL1009647 0.78 FFAR1 (0.44) FFAR1TSHR
SCHEMBL19555393 0.77 TDP1 (0.70) TDP1PTGER2PTGDR2MAPTFFAR1
SCHEMBL2949180 0.76 PKM (0.70) PKMTDP1PTGER2GLAL3MBTL1
SCHEMBL14282688 0.75 PKM (0.59) PKMTDP1PTGER2GLAL3MBTL1

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-6696494-B2 HUMAN IMMUNODEFICIENCY VIRUS ENANTA PHARMACEUTICALS, INC. 2004-02-24 US disclosed
US-20030207934-A1 Alpha-hydroxyarylbutanamine inhibitors of aspartyl protease ENANTA PHARMACEUTICALS, INC. 2003-11-06 US disclosed
WO-2003034989-A2 α-HYDROXYARYLBUTANAMINE INHIBITORS OF ASPARTYL PROTEASE ENANTA PHARMACEUTICALS, INC. (US) 2003-05-01 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-20030207934-A1 Alpha-hydroxyarylbutanamine inhibitors of aspartyl protease DNPEP, ASPH, CTSC PKM 2294/4885TDP1 505/4885PTGER2 4608/4885

“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.