SCHEMBL26225664

SCHEMBL26225664

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

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PTGES O14684 8/20 0.41
▸ PTGS2 P35354 2/20 0.40
▸ GAA P10253 2/20 0.40
▸ JAK2 O60674 1/20 0.40
▸ NPC1 O15118 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ CASP3 P42574 2/20 0.38
▸ SENP7 Q9BQF6 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ KCNH2 Q12809 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ FFAR2 O15552 1/20 0.36
▸ FBP1 P09467 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
SCHEMBL29630799 1.00 PTGES (0.41) PTGESPTGS2GAAJAK2NPC1
SCHEMBL24473817 0.86 PTGES (0.47) PTGESPTGS2GAAJAK2NPC1
SCHEMBL26969288 0.84 PTGES (0.53) PTGESPTGS2
SCHEMBL30464905 0.84 PTGES (0.53) PTGESPTGS2
SCHEMBL29630997 0.84 TP53 (0.45) PTGESPTGS2NPC1RAB9ACASP3
SCHEMBL26225730 0.84 PTGES (0.41) PTGESPTGS2NPC1RAB9ACASP3
SCHEMBL24473827 0.84 TP53 (0.45) PTGESPTGS2NPC1RAB9ACASP3
SCHEMBL30505273 0.84 PTGES (0.41) PTGESPTGS2NPC1RAB9ACASP3
SCHEMBL26225665 0.83 CASP3 (0.50) PTGESPTGS2NPC1RAB9ACASP3
SCHEMBL30505272 0.82 PARP3 (0.38) PTGESPTGS2NPC1RAB9ACASP3

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 1411/4885GAA 3294/4885

“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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