SCHEMBL18207261

SCHEMBL18207261

[CH2]c1ccccc1C(=O)NC(C)OC

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.44
HPGD P15428 3/20 0.44
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
KDM4E B2RXH2 4/20 0.41
HSD17B10 Q99714 2/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
TSHR P16473 1/20 0.39
PKM P14618 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HTT P42858 1/20 0.38
USP2 O75604 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
SCHEMBL7216545 0.77 MEN1 (0.41) ALDH1A1HPGDKMT2AMEN1KDM4E
SCHEMBL7222038 0.75 PTGS2 (0.44) ALDH1A1KMT2AKDM4EHSD17B10LMNA
SCHEMBL31575774 0.75 ALDH1A1 (0.51) ALDH1A1HPGDKMT2AMEN1KDM4E
SCHEMBL14893667 0.74 TACR3 (0.40) ALDH1A1HPGDKMT2AMEN1KDM4E
SCHEMBL7220752 0.73 MEN1 (0.45) ALDH1A1HPGDKMT2AMEN1KDM4E
SCHEMBL2533417 0.72 GAA (0.59) POLB
SCHEMBL650160 0.72 TSHR (0.61) ALDH1A1HPGDKMT2AKDM4EHSD17B10
SCHEMBL7214208 0.72 ALDH1A1 (0.45) ALDH1A1HPGDKMT2AMEN1KDM4E
SCHEMBL4047792 0.71 GAA (0.48) ALDH1A1HPGDKMT2AMEN1KDM4E
SCHEMBL7220929 0.71 ALDH1A1 (0.47) ALDH1A1HPGDKMT2AMEN1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11242345-B2 Sulfonimidoylpurinone compounds and methods of treatment using the same HOFFMANN-LA ROCHE INC. (US) 2022-02-08 US claimed
CN-107580596-B Sulfimidoylpurine ketone compounds and derivatives for the treatment and prevention of viral infections 豪夫迈·罗氏有限公司 2020-07-14 CN claimed
US-20200109144-A1 Sulfonimidoylpurinone Compounds HOFFMANN-LA ROCHE INC. (US) 2020-04-09 US claimed
EP-3294740-B1 NOVEL SULFONIMIDOYLPURINONE COMPOUNDS AND DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF VIRUS INFECTION HOFFMANN LA ROCHE (CH) 2019-09-04 EP claimed
EP-3294740-A1 NOVEL SULFONIMIDOYLPURINONE COMPOUNDS AND DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF VIRUS INFECTION H. Hoffnabb-La Roche Ag (CH) 2018-03-21 EP claimed
US-20170275286-A1 Novel Sulfonimidoylpurinone Compounds and Derivatives for the Treatment and Prophylaxis of Virus Infection HOFFMANN-LA ROCHE INC. (US) 2017-09-28 US claimed
US-9708325-B2 Sulfonimidoylpurinone compounds and derivatives for the treatment and prophylaxis of virus infection HOFFMANN-LA ROCHE INC. (US) 2017-07-18 US claimed
WO-2016180695-A1 NOVEL SULFONIMIDOYLPURINONE COMPOUNDS AND DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF VIRUS INFECTION F. HOFFMANN-LA ROCHE AG (CH) 2016-11-17 WO claimed
US-20160326177-A1 Novel Sulfonimidoylpurinone Compounds and Derivatives for the Treatment and Prophylaxis of Virus Infection HOFFMANN-LA ROCHE INC. (US) 2016-11-10 US claimed
US-11242345-B2 Sulfonimidoylpurinone compounds and methods of treatment using the same HOFFMANN-LA ROCHE INC. (US) 2022-02-08 US disclosed
CN-107580596-B Sulfimidoylpurine ketone compounds and derivatives for the treatment and prevention of viral infections 豪夫迈·罗氏有限公司 2020-07-14 CN disclosed
US-20200109144-A1 Sulfonimidoylpurinone Compounds HOFFMANN-LA ROCHE INC. (US) 2020-04-09 US disclosed
EP-3294740-B1 NOVEL SULFONIMIDOYLPURINONE COMPOUNDS AND DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF VIRUS INFECTION HOFFMANN LA ROCHE (CH) 2019-09-04 EP disclosed
US-10399983-B2 Sulfonimidoylpurinone compounds HOFFMANN-LA ROCHE INC. (US) 2019-09-03 US disclosed
EP-3294740-A1 NOVEL SULFONIMIDOYLPURINONE COMPOUNDS AND DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF VIRUS INFECTION H. Hoffnabb-La Roche Ag (CH) 2018-03-21 EP disclosed
US-20170275286-A1 Novel Sulfonimidoylpurinone Compounds and Derivatives for the Treatment and Prophylaxis of Virus Infection HOFFMANN-LA ROCHE INC. (US) 2017-09-28 US disclosed
US-9708325-B2 Sulfonimidoylpurinone compounds and derivatives for the treatment and prophylaxis of virus infection HOFFMANN-LA ROCHE INC. (US) 2017-07-18 US disclosed
WO-2016180695-A1 NOVEL SULFONIMIDOYLPURINONE COMPOUNDS AND DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF VIRUS INFECTION F. HOFFMANN-LA ROCHE AG (CH) 2016-11-17 WO disclosed
US-20160326177-A1 Novel Sulfonimidoylpurinone Compounds and Derivatives for the Treatment and Prophylaxis of Virus Infection HOFFMANN-LA ROCHE INC. (US) 2016-11-10 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 (5 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-20170275286-A1 Novel Sulfonimidoylpurinone Compounds and Derivatives for the Treatment and Prophylaxis of Virus Infection PRSS1, TPMT, SULT1E1 ALDH1A1 288/4885HPGD 2479/4885KMT2A 2703/4885
US-20160326177-A1 Novel Sulfonimidoylpurinone Compounds and Derivatives for the Treatment and Prophylaxis of Virus Infection PRSS1, TPMT, SULT1E1 ALDH1A1 288/4885HPGD 2479/4885KMT2A 2703/4885
US-20200109144-A1 Sulfonimidoylpurinone Compounds NQO1, UGT1A1, SULT1E1 ALDH1A1 59/4885HPGD 929/4885KMT2A 2133/4885
US-10399983-B2 Sulfonimidoylpurinone compounds NQO1, UGT1A1, SULT1E1 ALDH1A1 59/4885HPGD 929/4885KMT2A 2133/4885
US-11242345-B2 Sulfonimidoylpurinone compounds and methods of treatment using the same STS, SULT1E1, SULT1A1 ALDH1A1 122/4885HPGD 859/4885KMT2A 1875/4885

“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.