SCHEMBL6745272

SCHEMBL6745272

COc1cccc(F)c1OCC(=O)O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.60
POLB P06746 1/20 0.60
FFAR4 Q5NUL3 1/20 0.49
KMT2A Q03164 3/20 0.49
LMNA P02545 2/20 0.49
MEN1 O00255 1/20 0.48
CD69 Q07108 2/20 0.47
GLA P06280 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 2/20 0.46
HPGD P15428 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
FFAR1 O14842 1/20 0.45
ACMSD Q8TDX5 1/20 0.45
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44

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
SCHEMBL6744642 0.88 SMN1; SMN2 (0.70) SMN1; SMN2POLBKMT2ALMNAMEN1
SCHEMBL6743196 0.84 KMT2A (0.60) SMN1; SMN2POLBKMT2ALMNACD69
SCHEMBL6743332 0.82 POLB (0.62) SMN1; SMN2POLBKMT2ALMNAMEN1
SCHEMBL31552456 0.81 SMN1; SMN2 (0.71) SMN1; SMN2POLBKMT2ALMNAMEN1
SCHEMBL7824239 0.81 KDM4E (0.60) SMN1; SMN2POLBKMT2ALMNAMEN1
SCHEMBL18702949 0.79 SMN1; SMN2 (0.58) SMN1; SMN2POLBKMT2ALMNAMEN1
Butyric Acid SCHEMBL10751296 0.78 FFAR4 (0.53) SMN1; SMN2POLBFFAR4KMT2ALMNA
SCHEMBL2554736 0.78 PTGDR2 (0.62) SMN1; SMN2POLBKMT2ALMNAMEN1
SCHEMBL6449648 0.78 POLB (0.57) SMN1; SMN2POLBKMT2ALMNAMEN1
SCHEMBL9774310 0.78 POLB (0.57) SMN1; SMN2POLBKMT2ALMNAMEN1

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 SMN1; SMN2 3669/4885POLB 632/4885FFAR4 2931/4885

“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.