SCHEMBL4842836

SCHEMBL4842836

COc1ccc(OS(=O)(=O)C(F)(F)F)c(C#N)c1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AR P10275 6/20 0.46
PGR P06401 3/20 0.46
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
TP53 P04637 1/20 0.44
HSD17B10 Q99714 1/20 0.44
SLC22A12 Q96S37 7/20 0.42
MEN1 O00255 1/20 0.42
GLA P06280 1/20 0.42
KMT2A Q03164 1/20 0.42
EPAS1 Q99814 1/20 0.40

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
SCHEMBL9454958 0.91 AR (0.46) ARPGRNPC1RAB9ASLC22A12
SCHEMBL8618855 0.85 MAOB (0.45) ARPGREPAS1
SCHEMBL2259279 0.82 AR (0.44) ARSLC22A12EPAS1
SCHEMBL5728291 0.81 EPAS1 (0.45) SLC22A12EPAS1
SCHEMBL6938157 0.80 CA12 (0.55) HSD17B10MEN1KMT2A
SCHEMBL6935409 0.80 CA12 (0.55) HSD17B10MEN1KMT2A
SCHEMBL15283286 0.79 ABCC8 (0.43) MEN1GLAKMT2A
SCHEMBL29134970 0.79 EPAS1 (0.43) HSD17B10KMT2AEPAS1
SCHEMBL5980992 0.79 GAA (0.43) RAB9AMEN1KMT2A
SCHEMBL15417657 0.79 L3MBTL1 (0.41) SLC22A12KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7378428-B2 Nitrogen-containing bicyclic compounds and drugs containing the same as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2008-05-27 US disclosed
US-20050222138-A1 Nitrogen-containing bicyclic compounds and drugs containing the same as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2005-10-06 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-20050222138-A1 Nitrogen-containing bicyclic compounds and drugs containing the same as the active ingredient PARK7, MMP8, CDK7 AR 858/4885PGR 589/4885NPC1 985/4885

“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.