SCHEMBL1922889

SCHEMBL1922889

O=[PH](CCOCc1ccccc1)OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.50
ALDH1A1 P00352 3/20 0.42
NAAA Q02083 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HTT P42858 1/20 0.40
LTA4H P09960 1/20 0.38
IDO1 P14902 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
LMNA P02545 1/20 0.37
HRH4 Q9H3N8 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
AGXT P21549 1/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA9 Q16790 2/20 0.36
CA7 P43166 1/20 0.36

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
SCHEMBL16539279 0.82 TSHR (0.56) TSHRALDH1A1NAAASMN1; SMN2HTT
SCHEMBL12724016 0.81 TSHR (0.54) TSHRALDH1A1SMN1; SMN2IDO1TDP1
SCHEMBL28596361 0.81 TSHR (0.43) TSHRALDH1A1SMN1; SMN2IDO1AGXT
SCHEMBL20975616 0.77 ALDH1A1 (0.34) TSHRALDH1A1HTTIDO1TDP1
SCHEMBL2333457 0.77 TSHR (0.54) TSHRALDH1A1NAAASMN1; SMN2HTT
SCHEMBL4839006 0.76 MAOB (0.46) SMN1; SMN2LTA4HIDO1
SCHEMBL12723863 0.76 TSHR (0.48) TSHRALDH1A1NAAASMN1; SMN2HTT
SCHEMBL969878 0.76 TSHR (0.46) TSHRALDH1A1SMN1; SMN2IDO1TDP1
SCHEMBL8732269 0.76 L3MBTL1 (0.43) TSHRALDH1A1TDP1L3MBTL1HRH4
SCHEMBL17929314 0.75 TSHR (0.47) TSHRALDH1A1NAAASMN1; SMN2HTT

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2183260-B1 PHOSPHADIAZINE HCV POLYMERASE INHIBITORS IV IDENIX PHARMACEUTICALS INC (US) 2011-06-01 EP disclosed
EP-2183260-B1 PHOSPHADIAZINE HCV POLYMERASE INHIBITORS IV IDENIX PHARMACEUTICALS INC (US) 2011-06-01 EP disclosed
US-7932240-B2 Phosphadiazine HCV polymerase inhibitors IV IDENIX PHARMACEUTICALS, INC. (US) 2011-04-26 US disclosed
US-7932240-B2 Phosphadiazine HCV polymerase inhibitors IV IDENIX PHARMACEUTICALS, INC. (US) 2011-04-26 US disclosed
US-20090081158-A1 PHOSPHADIAZINE HCV POLYMERASE INHIBITORS IV IDENIX PHARMACEUTICALS, INC. (US) 2009-03-26 US disclosed
US-20090081158-A1 PHOSPHADIAZINE HCV POLYMERASE INHIBITORS IV IDENIX PHARMACEUTICALS, INC. (US) 2009-03-26 US disclosed
WO-2009032180-A1 PHOSPHADIAZINE HCV POLYMERASE INHIBITORS IV IDENIX PHARMACEUTICALS, INC. (US) 2009-03-12 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-20090081158-A1 PHOSPHADIAZINE HCV POLYMERASE INHIBITORS IV POLI, ITPA, POLR2H TSHR 3605/4885ALDH1A1 1722/4885NAAA 484/4885

“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.