SCHEMBL26225706

SCHEMBL26225706

O=C(NC1CC2(C1)CC(c1nc3cc(Cl)ccc3o1)C2)C1CS(=O)(=O)C1

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ PTGES O14684 19/20 0.47
▸ PTGS2 P35354 3/20 0.47
▸ HDAC4 P56524 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
SCHEMBL29895625 1.00 PTGES (0.47) PTGESPTGS2HDAC4
SCHEMBL26225689 0.93 PTGES (0.46) PTGESPTGS2HDAC4
SCHEMBL29630913 0.90 PTGES (0.50) PTGESPTGS2
SCHEMBL29630854 0.90 PTGES (0.46) PTGESPTGS2HDAC4
SCHEMBL26225711 0.90 PTGES (0.46) PTGESPTGS2HDAC4
SCHEMBL26225779 0.90 PTGES (0.50) PTGESPTGS2
SCHEMBL26225713 0.90 PTGES (0.50) PTGESPTGS2
SCHEMBL29630851 0.88 PTGES (0.44) PTGESPTGS2HDAC4
SCHEMBL26225694 0.88 PTGES (0.44) PTGESPTGS2HDAC4
SCHEMBL24473774 0.87 PTGES (0.54) PTGESPTGS2HDAC4

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-20230286968-A1 ARYLOXAZOLO SPIRAL RING DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN-LA ROCHE INC. (US) 2023-09-14 — — US disclosed
US-20230286968-A1 ARYLOXAZOLO SPIRAL RING DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN-LA ROCHE INC. (US) 2023-09-14 — — 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-20230286968-A1 ARYLOXAZOLO SPIRAL RING DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HAVCR2, CYP4B1, CYP1B1 PTGES 1456/4885PTGS2 1411/4885HDAC4 588/4885

“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.

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