SCHEMBL19945772

SCHEMBL19945772

CCOC(=O)[C@H](Cc1ccccc1)N(C)C(=O)Cl

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.50
ALDH1A1 P00352 5/20 0.46
GAA P10253 1/20 0.46
NPY1R P25929 1/20 0.44
NPY2R P49146 1/20 0.44
L3MBTL1 Q9Y468 4/20 0.43
LMNA P02545 2/20 0.43
POLB P06746 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPT P10636 1/20 0.43
EPHX2 P34913 1/20 0.42
PPARG P37231 1/20 0.42
TP53 P04637 1/20 0.42
PIN1 Q13526 1/20 0.42
CHRM1 P11229 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
NPC1 O15118 1/20 0.41

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
SCHEMBL19945770 1.00 MMP8 (0.50) MMP8ALDH1A1GAANPY1RNPY2R
SCHEMBL15805201 0.84 ALDH1A1 (0.56) MMP8ALDH1A1GAANPY1RNPY2R
SCHEMBL19945666 0.84 TSHR (0.46) ALDH1A1MAPTCHRM1NPC1
SCHEMBL19945667 0.84 TSHR (0.46) ALDH1A1MAPTCHRM1NPC1
SCHEMBL19924566 0.83 ITGA4 (0.44) ALDH1A1POLBMAPTCHRM1
SCHEMBL19924563 0.83 ITGA4 (0.44) ALDH1A1POLBMAPTCHRM1
SCHEMBL23000947 0.83 ADAMTS5 (0.50) ALDH1A1L3MBTL1POLBHSD17B10MEN1
SCHEMBL23000946 0.83 ADAMTS5 (0.50) ALDH1A1L3MBTL1POLBHSD17B10MEN1
SCHEMBL6600202 0.81 MMP8 (0.46) MMP8ALDH1A1GAANPY1RNPY2R
SCHEMBL9318888 0.80 MMP8 (0.43) MMP8ALDH1A1GAANPY1RNPY2R

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 15 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
US-20200385387-A1 7-SUBSTITUTED SULFONIMIDOYLPURINONE COMPOUNDS FOR THE TREATMENT OF VIRUS INFECTION HOFFMANN-LA ROCHE INC. (US) 2020-12-10 US 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
US-20200268762-A1 7-SUBSTITUTED SULFONIMIDOYLPURINONE COMPOUNDS AND DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF LIVER CANCER HOFFMANN-LA ROCHE INC. (US) 2020-08-27 US disclosed
US-10752630-B2 7-substituted sulfonimidoylpurinone compounds for the treatment of virus infection HOFMANN LA-ROCHE INC. (US) 2020-08-25 US disclosed
US-20190256515-A1 NOVEL SUBSTITUTED SULFONIMIDOYLPURINONE COMPOUNDS AND DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF VIRUS INFECTION HOFFMANN-LA ROCHE INC. (US) 2019-08-22 US 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-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
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
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 (6 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-10752630-B2 7-substituted sulfonimidoylpurinone compounds for the treatment of virus infection FURIN, UGT1A7, SARS1 MMP8 3168/4885ALDH1A1 229/4885GAA 1423/4885
US-20190256515-A1 NOVEL SUBSTITUTED SULFONIMIDOYLPURINONE COMPOUNDS AND DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF VIRUS INFECTION TPMT, SULT1E1, SULT1A1 MMP8 3239/4885ALDH1A1 252/4885GAA 2134/4885
US-20200385387-A1 7-SUBSTITUTED SULFONIMIDOYLPURINONE COMPOUNDS FOR THE TREATMENT OF VIRUS INFECTION FURIN, UGT1A7, SARS1 MMP8 3168/4885ALDH1A1 229/4885GAA 1423/4885
US-20200268762-A1 7-SUBSTITUTED SULFONIMIDOYLPURINONE COMPOUNDS AND DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF LIVER CANCER SULT1E1, SULT1A1, UGT2B7 MMP8 3119/4885ALDH1A1 40/4885GAA 2974/4885
US-20180072730-A1 NOVEL 7-SUBSTITUTED SULFONIMIDOYLPURINONE COMPOUNDS AND DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF VIRUS INFECTION TPMT, SULT1E1, UGT1A7 MMP8 2123/4885ALDH1A1 235/4885GAA 1885/4885
US-10233184-B2 7-substituted sulfonimidoylpurinone compounds and derivatives for the treatment and prophylaxis of virus infection TPMT, UGT1A7, UGT2B7 MMP8 2020/4885ALDH1A1 132/4885GAA 1693/4885

“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.