SCHEMBL26225665

SCHEMBL26225665

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

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 2/20 0.50
▸ ALDH1A1 P00352 3/20 0.43
▸ LMNA P02545 1/20 0.43
▸ ALOX12 P18054 1/20 0.43
▸ MAPT P10636 1/20 0.39
▸ SENP7 Q9BQF6 2/20 0.39
▸ FFAR2 O15552 1/20 0.39
▸ PTGES O14684 6/20 0.39
▸ PTGS2 P35354 2/20 0.39
▸ TP53 P04637 2/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ HPGD P15428 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ ANO1 Q5XXA6 1/20 0.37
▸ POLB P06746 1/20 0.37

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
SCHEMBL24473754 0.87 CASP3 (0.53) CASP3ALDH1A1LMNAALOX12MAPT
SCHEMBL26969275 0.85 PTGES (0.51) CASP3PTGESPTGS2
SCHEMBL30505273 0.85 PTGES (0.41) CASP3ALDH1A1MAPTSENP7FFAR2
SCHEMBL26225730 0.85 PTGES (0.41) CASP3ALDH1A1MAPTSENP7FFAR2
SCHEMBL26227699 0.83 CASP3 (0.38) CASP3ALDH1A1LMNAMAPTSENP7
SCHEMBL30570407 0.83 CASP3 (0.38) CASP3ALDH1A1LMNAMAPTSENP7
SCHEMBL29630997 0.83 TP53 (0.45) CASP3SENP7PTGESPTGS2TP53
SCHEMBL24473827 0.83 TP53 (0.45) CASP3SENP7PTGESPTGS2TP53
SCHEMBL29630799 0.83 PTGES (0.41) CASP3SENP7FFAR2PTGESPTGS2
SCHEMBL26225664 0.83 PTGES (0.41) CASP3SENP7FFAR2PTGESPTGS2

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 CASP3 645/4885ALDH1A1 158/4885LMNA 1265/4885

“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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