SCHEMBL3365857

SCHEMBL3365857

COC(=O)C(=O)CC(=O)c1ccc(OC)cc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.60
ALDH1A1 P00352 1/20 0.60
LMNA P02545 1/20 0.60
ALOX15 P16050 1/20 0.60
APEX1 P27695 1/20 0.60
MAPK1 P28482 1/20 0.60
RECQL P46063 1/20 0.60
HSD17B10 Q99714 1/20 0.60
TDP1 Q9NUW8 1/20 0.60
GSK3B P49841 1/20 0.59
HDAC3 O15379 1/20 0.59
HDAC4 P56524 1/20 0.59
HDAC1 Q13547 1/20 0.59
HDAC7 Q8WUI4 1/20 0.59
HDAC2 Q92769 1/20 0.59
HDAC10 Q969S8 1/20 0.59
HDAC11 Q96DB2 1/20 0.59
HDAC8 Q9BY41 1/20 0.59
HDAC6 Q9UBN7 1/20 0.59
HDAC9 Q9UKV0 1/20 0.59

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
SCHEMBL1694652 0.86 HDAC3 (0.57) KMT2AALDH1A1LMNAALOX15APEX1
SCHEMBL153386 0.86 ALDH1A1 (0.76) KMT2AALDH1A1LMNAALOX15APEX1
SCHEMBL3033857 0.85 ERCC5 (0.67) KMT2AALDH1A1LMNAALOX15APEX1
SCHEMBL9350687 0.85 HDAC3 (0.56) KMT2AALDH1A1LMNAALOX15APEX1
SCHEMBL3864104 0.83 NPC1 (0.58) KMT2AALDH1A1LMNATDP1GSK3B
SCHEMBL29219054 0.82 ALDH1A1 (0.66) KMT2AALDH1A1LMNAALOX15APEX1
SCHEMBL15499848 0.82 HDAC3 (0.50) ALDH1A1LMNAALOX15APEX1MAPK1
SCHEMBL20487435 0.82 ALOX15 (0.53) KMT2AALDH1A1LMNAALOX15HDAC3
SCHEMBL6511539 0.81 HAO1 (0.59) KMT2AALDH1A1LMNAMAPK1RECQL
SCHEMBL6025903 0.81 ERCC5 (0.65) KMT2AALDH1A1LMNAGSK3BKCNH2

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-20230012463-A1 CYCLIC SULFAMIDE COMPOUNDS AND METHODS OF USING SAME ASSEMBLY BIOSCIENCES INC (US) 2023-01-12 US disclosed
US-20230012463-A1 CYCLIC SULFAMIDE COMPOUNDS AND METHODS OF USING SAME ASSEMBLY BIOSCIENCES INC (US) 2023-01-12 US disclosed
US-11078170-B2 Cyclic sulfamide compounds and methods of using same ASSEMBLY BIOSCIENCES, INC. (US) 2021-08-03 US disclosed
US-11078170-B2 Cyclic sulfamide compounds and methods of using same ASSEMBLY BIOSCIENCES, INC. (US) 2021-08-03 US disclosed
EP-3589630-B1 CYCLIC SULFAMIDE COMPOUNDS AND METHODS OF USING SAME ASSEMBLY BIOSCIENCES INC (US) 2021-07-07 EP disclosed
EP-3589630-B1 CYCLIC SULFAMIDE COMPOUNDS AND METHODS OF USING SAME ASSEMBLY BIOSCIENCES INC (US) 2021-07-07 EP disclosed
US-20200157070-A1 CYCLIC SULFAMIDE COMPOUNDS AND METHODS OF USING SAME ASSEMBLY BIOSCIENCES INC (US) 2020-05-21 US disclosed
US-20200157070-A1 CYCLIC SULFAMIDE COMPOUNDS AND METHODS OF USING SAME ASSEMBLY BIOSCIENCES INC (US) 2020-05-21 US disclosed
CN-110621672-A Cyclic sulfonamide compounds and methods of use thereof 组装生物科学股份有限公司 2019-12-27 CN disclosed
WO-2018160878-A1 CYCLIC SULFAMIDE COMPOUNDS AND METHODS OF USING SAME ASSEMBLY BIOSCIENCES, INC. (US) 2018-09-07 WO disclosed
US-8497263-B2 Pyrrolinone derivative and pharmaceutical composition comprising the same SHIONOGI & CO., LTD. (JP) 2013-07-30 US disclosed
US-8101644-B2 Pyrrolinone derivative and pharmaceutical composition comprising the same SHIONOGI & CO., LTD. (JP) 2012-01-24 US disclosed
US-8101644-B2 Pyrrolinone derivative and pharmaceutical composition comprising the same SHIONOGI & CO., LTD. (JP) 2012-01-24 US disclosed
US-20120010199-A1 NOVEL PYRROLINONE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME KAI HIROYUKI (JP) 2012-01-12 US disclosed
US-20100210632-A1 NOVEL PYRROLINONE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME SHIONOGI & CO., LTD. (JP) 2010-08-19 US disclosed
US-20100210632-A1 NOVEL PYRROLINONE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME SHIONOGI & CO., LTD. (JP) 2010-08-19 US disclosed
WO-2010046780-A2 ANTI VIRAL COMPOUNDS INSTITUT PASTEUR KOREA (KR) 2010-04-29 WO disclosed
CN-101679246-A Novel pyrrolinone derivative and pharmaceutical composition comprising same SHIONOGI & CO 2010-03-24 CN disclosed
EP-2143713-A1 NOVEL PYRROLINONE DERIVATIVE AND MEDICINAL COMPOSITION CONTAINING THE SAME Shionogi&Co., Ltd. (JP) 2010-01-13 EP 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-20120010199-A1 NOVEL PYRROLINONE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME P2RX3, P2RX2, P2RX1 KMT2A 3720/4885ALDH1A1 1235/4885LMNA 2875/4885
US-20100210632-A1 NOVEL PYRROLINONE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME P2RX3, P2RX2, P2RX1 KMT2A 3720/4885ALDH1A1 1235/4885LMNA 2875/4885
US-20230012463-A1 CYCLIC SULFAMIDE COMPOUNDS AND METHODS OF USING SAME HCCS, HAVCR2, SLC10A1 KMT2A 2749/4885ALDH1A1 4068/4885LMNA 4105/4885
US-11078170-B2 Cyclic sulfamide compounds and methods of using same HCCS, HAVCR2, SLC10A1 KMT2A 2749/4885ALDH1A1 4068/4885LMNA 4105/4885
US-20200157070-A1 CYCLIC SULFAMIDE COMPOUNDS AND METHODS OF USING SAME HCCS, HAVCR2, SLC10A1 KMT2A 2749/4885ALDH1A1 4068/4885LMNA 4105/4885

“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.