SCHEMBL3926817

SCHEMBL3926817

O=S(O)c1ccc(F)c(F)c1.[NaH]

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.41
CES1 P23141 3/20 0.41
IDO1 P14902 1/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
KCNN4 O15554 1/20 0.31
CA3 P07451 1/20 0.30
CA6 P23280 1/20 0.30
CA5A P35218 1/20 0.30
CA9 Q16790 1/20 0.30
CA14 Q9ULX7 1/20 0.30
CA5B Q9Y2D0 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
KIF11 P52732 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
SCHEMBL4425404 0.98 CES2 (0.43) CES2CES1IDO1NPC1RAB9A
SCHEMBL28831953 0.81 HDAC1 (0.42) NPC1RAB9AMEN1KMT2A
SCHEMBL3928731 0.81 SLC2A1 (0.40) IDO1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL8105141 0.78 SLC2A1 (0.41) IDO1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL15569145 0.77 HTT (0.50) RAB9A
SCHEMBL19523941 0.75 CNR2 (0.42) CES2CES1KMT2A
SCHEMBL3873276 0.75 CYP3A4 (0.40) CES2CES1SMN1; SMN2
SCHEMBL11859127 0.74 CA1 (0.33)
SCHEMBL24628681 0.74 MAOB (0.42) CES2CES1SMN1; SMN2KMT2A
SCHEMBL16846837 0.74 KIF11 (0.42) NPC1RAB9ASMN1; SMN2KIF11

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
EP-2074118-A2 TRISUBSTITUTED PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF PROLIFERATIVE DISEASES AstraZeneca AB (SE) 2009-07-01 EP disclosed
US-20090018134-A1 Compounds - 945 ASTRAZENECA AB (SE) 2009-01-15 US disclosed
WO-2009007748-A2 TRISUBSTITUTED PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF PROLIFERATIVE DISEASES ASTRAZENECA AB (SE) 2009-01-15 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-20090018134-A1 Compounds - 945 MTOR, PIK3CA, PIK3R5 CES2 2150/4885CES1 2220/4885IDO1 4264/4885

“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.