SCHEMBL294835

SCHEMBL294835

COC(=O)[CH]c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.46
ALDH1A1 P00352 2/20 0.46
CMA1 P23946 2/20 0.44
AKR1C3 P42330 1/20 0.43
GLA P06280 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA12 O43570 1/20 0.42
TYR P14679 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
HDAC3 O15379 2/20 0.42
HDAC4 P56524 2/20 0.42
HDAC1 Q13547 2/20 0.42
HDAC2 Q92769 2/20 0.42
HDAC8 Q9BY41 2/20 0.42
HDAC6 Q9UBN7 2/20 0.42
KCNN4 O15554 1/20 0.42

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
SCHEMBL5748654 0.88 HDAC2 (0.49) ALDH1A1CA1CA2CA12TYR
SCHEMBL5749467 0.80 CA1 (0.66) ALDH1A1CA1CA2CA12TYR
SCHEMBL11371533 0.80 TDP1 (0.48) ALDH1A1TDP1CA1CA2CA12
SCHEMBL11375166 0.78 GSK3B (0.56) ALDH1A1CA1CA2HDAC3HDAC4
SCHEMBL28198345 0.78 CA1 (0.44) ALDH1A1TDP1CA1CA2CA12
SCHEMBL5454115 0.78 PTGS2 (0.47) TSHRALDH1A1TDP1CA1CA2
E-Methyl Cinnamate SCHEMBL1862419 0.78 CA12 (0.69) ALDH1A1CMA1GLATDP1CA1
E-Methyl Cinnamate SCHEMBL101530 0.78 CA12 (0.69) ALDH1A1CMA1GLATDP1CA1
E-Methyl Cinnamate SCHEMBL901224 0.78 CA12 (0.69) ALDH1A1CMA1GLATDP1CA1
E-Methyl Cinnamate SCHEMBL112062 0.78 CA12 (0.69) ALDH1A1CMA1GLATDP1CA1

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 609 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116234546-A GPX4 inhibitors, pharmaceutical compositions thereof and their use in the treatment of GPX4 mediated diseases 嘉兴优博生物技术有限公司 2023-06-06 CN claimed
CN-114716386-A Novel exosome inhibitor and preparation method thereof 北京和理咨询有限公司 2022-07-08 CN claimed
US-11242345-B2 Sulfonimidoylpurinone compounds and methods of treatment using the same HOFFMANN-LA ROCHE INC. (US) 2022-02-08 US claimed
WO-2021183702-A1 GPX4 INHIBITORS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR USE FOR TREATING GPX4-MEDIATED DISEASES EUBULUS BIOTHERAPEUTICS INC. (CN) 2021-09-16 WO 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
US-20200061225-A1 ALDEHYDE SCAVENGER AND METHOD FOR REMOVING ALDEHYDES TOSOH CORPORATION (JP) 2020-02-27 US claimed
EP-3564334-A1 ALDEHYDE SCAVENGER AND ALDEHYDE REMOVAL METHOD Tosoh Corporation (JP) 2019-11-06 EP 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
US-10399983-B2 Sulfonimidoylpurinone compounds HOFFMANN-LA ROCHE INC. (US) 2019-09-03 US claimed
EP-0691961-A1 SUBSTITUTED CAPROLACTAMS AND DERIVATIVES THEREOF USEFUL FOR TREATMENT OF HIV DISEASE THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-01-17 EP claimed
EP-0686151-A1 SUBSTITUTED CYCLIC CARBONYLS AND DERIVATIVES THEREOF USEFUL AS RETROVIRAL PROTEASE INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1995-12-13 EP claimed
US-5461158-A Immunodeficiency and autoimmune diseases SANTEN PHARMACEUTICAL CO., LTD. (JP) 1995-10-24 US claimed
EP-0639566-A1 CYCLIC COMPOUND SANTEN PHARMACEUTICAL CO., LTD. (JP) 1995-02-22 EP claimed
WO-1994022840-A1 SUBSTITUTED CAPROLACTAMS AND DERIVATIVES THEREOF USEFUL FOR TREATMENT OF HIV DISEASE THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1994-10-13 WO claimed
WO-1994019329-A1 SUBSTITUTED CYCLIC CARBONYLS AND DERIVATIVES THEREOF USEFUL AS RETROVIRAL PROTEASE INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1994-09-01 WO claimed
EP-0607334-A1 CYCLIC UREAS AND ANALOGUES USEFUL AS RETROVIRAL PROTEASE INHIBITIORS. DU PONT MERCK PHARMA (US) 1994-07-27 EP claimed
WO-1994008977-A1 SUBSTITUTED CAPROLACTAMS AND DERIVATIVES THEREOF USEFUL FOR TREATMENT OF AIDS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1994-04-28 WO claimed
WO-1993007128-A1 CYCLIC UREAS AND ANALOGUES USEFUL AS RETROVIRAL PROTEASE INHIBITIORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1993-04-15 WO claimed
EP-0279239-B1 MICROBICIDES CIBA-GEIGY AG (CH) 1992-11-11 EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20200109144-A1 Sulfonimidoylpurinone Compounds NQO1, UGT1A1, SULT1E1 TSHR 4002/4885ALDH1A1 59/4885CMA1 3951/4885
US-10399983-B2 Sulfonimidoylpurinone compounds NQO1, UGT1A1, SULT1E1 TSHR 4002/4885ALDH1A1 59/4885CMA1 3951/4885
US-11242345-B2 Sulfonimidoylpurinone compounds and methods of treatment using the same STS, SULT1E1, SULT1A1 TSHR 3998/4885ALDH1A1 122/4885CMA1 2779/4885

“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.