SCHEMBL24454967

SCHEMBL24454967

CCC1(C(=O)Nc2ccc(-c3nc4cccc(F)c4o3)cc2)COC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.44
▸ KDM4E B2RXH2 3/20 0.44
▸ CETP P11597 3/20 0.44
▸ FASN P49327 1/20 0.42
▸ CEPT1 Q9Y6K0 5/20 0.42
▸ NPC1 O15118 2/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ MAPT P10636 2/20 0.41
▸ HPGD P15428 2/20 0.40
▸ POLB P06746 1/20 0.40
▸ CASP3 P42574 1/20 0.40
▸ SENP8 Q96LD8 1/20 0.40
▸ SENP7 Q9BQF6 1/20 0.40
▸ SENP6 Q9GZR1 1/20 0.40
▸ XBP1 P17861 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ IDO1 P14902 1/20 0.39
▸ DHODH Q02127 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39

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
SCHEMBL24454956 0.89 CETP (0.44) ALDH1A1KDM4ECETPFASNCEPT1
SCHEMBL24454878 0.84 MAPT (0.47) ALDH1A1KDM4ECETPFASNCEPT1
SCHEMBL24454873 0.83 FASN (0.42) ALDH1A1KDM4ECETPFASNCEPT1
SCHEMBL31284843 0.83 ALDH1A1 (0.45) ALDH1A1KDM4ECETPFASNCEPT1
SCHEMBL24454910 0.82 CETP (0.44) ALDH1A1KDM4ECETPFASNCEPT1
SCHEMBL31284622 0.82 ALDH1A1 (0.42) ALDH1A1KDM4ECETPFASNCEPT1
SCHEMBL24454955 0.81 MAPT (0.43) ALDH1A1KDM4ECETPFASNCEPT1
SCHEMBL24454912 0.79 FASN (0.44) ALDH1A1KDM4ECETPFASNCEPT1
SCHEMBL31284610 0.79 FASN (0.44) ALDH1A1KDM4ECETPFASNCEPT1
SCHEMBL24454917 0.79 FASN (0.43) ALDH1A1KDM4ECETPFASNCEPT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4247800-B1 N-SUBSTITUTED 4-(1,3-ARYLOXAZOLO-2-YL)PHENYL COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN LA ROCHE (CH) 2024-11-13 — — EP claimed
US-20230286930-A1 N -SUBSTITUTED 4-(1,3-ARYLOXAZOLO-2-YL)PHENYL COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN-LA ROCHE INC. (US) 2023-09-14 — — US claimed
CN-116438166-A N-substituted 4- (1, 3-aryloxazol-2-yl) phenyl compounds for the treatment and prevention of hepatitis b virus infection 豪夫迈·罗氏有限公司 2023-07-14 — — CN claimed
EP-4247800-B1 N-SUBSTITUTED 4-(1,3-ARYLOXAZOLO-2-YL)PHENYL COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN LA ROCHE (CH) 2024-11-13 — — EP disclosed
US-20230286930-A1 N -SUBSTITUTED 4-(1,3-ARYLOXAZOLO-2-YL)PHENYL COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN-LA ROCHE INC. (US) 2023-09-14 — — US disclosed
US-20230286930-A1 N -SUBSTITUTED 4-(1,3-ARYLOXAZOLO-2-YL)PHENYL COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN-LA ROCHE INC. (US) 2023-09-14 — — US disclosed
US-20230286930-A1 N -SUBSTITUTED 4-(1,3-ARYLOXAZOLO-2-YL)PHENYL COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN-LA ROCHE INC. (US) 2023-09-14 — — US disclosed
CN-116438166-A N-substituted 4- (1, 3-aryloxazol-2-yl) phenyl compounds for the treatment and prevention of hepatitis b virus infection 豪夫迈·罗氏有限公司 2023-07-14 — — CN disclosed
WO-2022106589-A1 N-SUBSTITUTED 4-(1,3-ARYLOXAZOLO-2-YL)PHENYL COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION F. HOFFMANN-LA ROCHE AG (CH) 2022-05-27 — — WO 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-20230286930-A1 N -SUBSTITUTED 4-(1,3-ARYLOXAZOLO-2-YL)PHENYL COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HAVCR2, CYP2E1, CYP7A1 ALDH1A1 225/4885KDM4E 918/4885CETP 1938/4885

“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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