SCHEMBL24454934

SCHEMBL24454934

O=C(Nc1ccc(-c2nc3cccnc3o2)cc1)C1CCS(=O)(=O)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 8/20 0.59
▸ RAB9A P51151 8/20 0.59
▸ HPGD P15428 7/20 0.59
▸ ALDH1A1 P00352 6/20 0.59
▸ KDM4E B2RXH2 5/20 0.59
▸ SMN1; SMN2 Q16637 5/20 0.59
▸ TP53 P04637 3/20 0.59
▸ HSD17B10 Q99714 3/20 0.59
▸ ADRB2 P07550 1/20 0.49
▸ MAPT P10636 3/20 0.45
▸ GLA P06280 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ ADK P55263 1/20 0.41
▸ GSK3B P49841 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ PTPN1 P18031 2/20 0.40

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
SCHEMBL31284406 1.00 NPC1 (0.59) NPC1RAB9AHPGDALDH1A1KDM4E
SCHEMBL29686457 0.94 HPGD (0.57) NPC1RAB9AHPGDALDH1A1KDM4E
SCHEMBL29686255 0.94 HPGD (0.57) NPC1RAB9AHPGDALDH1A1KDM4E
SCHEMBL24454893 0.94 HPGD (0.57) NPC1RAB9AHPGDALDH1A1KDM4E
SCHEMBL24454968 0.94 HPGD (0.57) NPC1RAB9AHPGDALDH1A1KDM4E
SCHEMBL29686837 0.94 HPGD (0.57) NPC1RAB9AHPGDALDH1A1KDM4E
SCHEMBL24454944 0.94 HPGD (0.57) NPC1RAB9AHPGDALDH1A1KDM4E
SCHEMBL31284971 0.85 ALDH1A1 (0.64) NPC1RAB9AHPGDALDH1A1KDM4E
SCHEMBL24454946 0.85 ALDH1A1 (0.64) NPC1RAB9AHPGDALDH1A1KDM4E
SCHEMBL31284754 0.83 ALDH1A1 (0.59) NPC1RAB9AHPGDALDH1A1KDM4E

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 7 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
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
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 NPC1 71/4885RAB9A 2085/4885HPGD 2065/4885

“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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