SCHEMBL19945667

SCHEMBL19945667

CC(C)OC(=O)C(Cc1ccccc1)N(C)C(=O)Cl

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.46
HPGD P15428 1/20 0.42
ALDH1A1 P00352 2/20 0.42
MAPT P10636 1/20 0.42
CHRM1 P11229 1/20 0.41
NPY5R Q15761 3/20 0.40
LTA4H P09960 1/20 0.40
BCHE P06276 4/20 0.40
ACHE P22303 4/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
ADAMTS5 Q9UNA0 1/20 0.39
ABCB1 P08183 1/20 0.38

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
SCHEMBL19945666 1.00 TSHR (0.46) TSHRHPGDALDH1A1MAPTCHRM1
SCHEMBL19945770 0.84 MMP8 (0.50) ALDH1A1MAPTCHRM1NPC1
SCHEMBL19945772 0.84 MMP8 (0.50) ALDH1A1MAPTCHRM1NPC1
SCHEMBL19924563 0.82 ITGA4 (0.44) ALDH1A1MAPTCHRM1
SCHEMBL19924566 0.82 ITGA4 (0.44) ALDH1A1MAPTCHRM1
SCHEMBL23000947 0.82 ADAMTS5 (0.50) HPGDALDH1A1MAPTLTA4HNPC1
SCHEMBL23000946 0.82 ADAMTS5 (0.50) HPGDALDH1A1MAPTLTA4HNPC1
SCHEMBL31408748 0.77 TSHR (0.56) TSHRHPGDALDH1A1NPC1RAB9A
SCHEMBL4421989 0.76 MMP2 (0.52) LTA4H
SCHEMBL16732096 0.75 TSHR (0.58) TSHRALDH1A1NPC1RAB9A

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
CN-111801100-B 7-substituted sulfoimidoyl purinone compounds and derivatives for the treatment and prevention of liver cancer 豪夫迈·罗氏有限公司 2023-10-24 CN disclosed
CN-109641904-B 7-substituted sulfoxy-purinone compounds for the treatment and prevention of viral infections 豪夫迈·罗氏有限公司 2022-01-28 CN disclosed
EP-3865482-A1 7-SUBSTITUTED SULFONIMIDOYLPURINONE COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF VIRUS INFECTION F. Hoffmann-La Roche AG (CH) 2021-08-18 EP disclosed
EP-3504210-B1 7-SUBSTITUTED SULFONIMIDOYLPURINONE COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF VIRUS INFECTION HOFFMANN LA ROCHE (CH) 2021-02-24 EP disclosed
CN-111801100-A 7-substituted sulfoxy-purinone compounds and derivatives for the treatment and prevention of liver cancer 豪夫迈·罗氏有限公司 2020-10-20 CN disclosed
CN-109641904-A The sulphur imido acyl group purine ketone compound that 7- for treating and preventing virus infection replaces 豪夫迈·罗氏有限公司 2019-04-16 CN disclosed
US-10233184-B2 7-substituted sulfonimidoylpurinone compounds and derivatives for the treatment and prophylaxis of virus infection HOFFMANN-LA ROCHE INC. (US) 2019-03-19 US disclosed
US-20180072730-A1 NOVEL 7-SUBSTITUTED SULFONIMIDOYLPURINONE COMPOUNDS AND DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF VIRUS INFECTION HOFFMANN-LA ROCHE INC. (US) 2018-03-15 US disclosed
WO-2018041763-A1 7-SUBSTITUTED SULFONIMIDOYLPURINONE COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF VIRUS INFECTION F. HOFFMANN-LA ROCHE AG (CH) 2018-03-08 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 (2 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-20180072730-A1 NOVEL 7-SUBSTITUTED SULFONIMIDOYLPURINONE COMPOUNDS AND DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF VIRUS INFECTION TPMT, SULT1E1, UGT1A7 TSHR 4523/4885HPGD 2482/4885ALDH1A1 235/4885
US-10233184-B2 7-substituted sulfonimidoylpurinone compounds and derivatives for the treatment and prophylaxis of virus infection TPMT, UGT1A7, UGT2B7 TSHR 4538/4885HPGD 2233/4885ALDH1A1 132/4885

“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.