SCHEMBL7044718

SCHEMBL7044718

CCOP(=O)(C[AsH2])OCC

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.60
PPARD Q03181 2/20 0.50
TP53 P04637 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 1/20 0.35
ACHE P22303 1/20 0.34

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
SCHEMBL6013161 0.78 PPARD (0.58) TSHRPPARDTP53TDP1MEN1
SCHEMBL26483 0.75 TSHR (1.00) TSHRPPARDTP53TDP1MEN1
SCHEMBL282472 0.75 TSHR (0.67) TSHRPPARDTP53TDP1MEN1
SCHEMBL5961215 0.75 TSHR (1.00) TSHRPPARDTP53TDP1MEN1
SCHEMBL3313657 0.75 PPARD (0.70) TSHRPPARDTP53TDP1MEN1
SCHEMBL31574613 0.73 TSHR (0.94) TSHRPPARDTP53TDP1MEN1
SCHEMBL9654507 0.73 TSHR (0.63) TSHRPPARDTP53TDP1MEN1
SCHEMBL28492909 0.73 TSHR (0.94) TSHRPPARDTP53TDP1MEN1
SCHEMBL11745101 0.73 TSHR (0.94) TSHRPPARDTP53TDP1MEN1
SCHEMBL29034374 0.73 TSHR (0.94) TSHRPPARDTP53TDP1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040167124-A1 Pre-organized tricyclic integrase inhibitor compounds GILEAD SCIENCES, INC. 2004-08-26 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-20040167124-A1 Pre-organized tricyclic integrase inhibitor compounds INTS6, INTS9, MUS81 TSHR 4025/4885PPARD 4259/4885TP53 1586/4885

“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.