SCHEMBL3956402

SCHEMBL3956402

COC(=O)CC(=O)CC1CC1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.42
GAA P10253 1/20 0.42
SI P14410 1/20 0.42
MGAM2 Q2M2H8 1/20 0.42
TSHR P16473 4/20 0.40
BRD4 O60885 1/20 0.38
HSD17B10 Q99714 1/20 0.37
EPHX2 P34913 5/20 0.37
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
EPHX1 P07099 1/20 0.32
HPGD P15428 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL28055530 0.91 MGAM (0.39) MGAMGAASIMGAM2TSHR
SCHEMBL1015355 0.91 KMT2A (0.42) MGAMGAASIMGAM2TSHR
SCHEMBL909706 0.90 EPHX1 (0.46) MGAMGAASIMGAM2TSHR
SCHEMBL26647720 0.83 BRD4 (0.50) MGAMGAASIMGAM2TSHR
SCHEMBL2036054 0.83
SCHEMBL24197361 0.83 BRD4 (0.50) MGAMGAASIMGAM2TSHR
SCHEMBL12561079 0.83 SCN9A (0.34) MGAMGAASIMGAM2TSHR
SCHEMBL2906560 0.82 BRD4 (0.35) BRD4EPHX2SMN1; SMN2EPHX1KMT2A
Ammonia Solution, Strong SCHEMBL27687914 0.81
SCHEMBL1015154 0.81 GAA (0.54) MGAMGAASIMGAM2HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4695242-A1 NOVEL SUBSTITUTED PYRROLE COMPOUNDS, COMPOSITIONS COMPRISING THE SUBSTITUTED PYRROLE COMPOUND, AND METHODS OF USE THEREOF Meta Pharmaceuticals (HK) Limited (HK) 2026-02-18 EP disclosed
WO-2024212024-A1 NOVEL SUBSTITUTED PYRROLE COMPOUNDS, COMPOSITIONS COMPRISING THE SUBSTITUTED PYRROLE COMPOUND, AND METHODS OF USE THEREOF META PHARMACEUTICALS (HK) LIMITED (CN) 2024-10-17 WO disclosed
WO-2024212907-A1 NOVEL SUBSTITUTED PYRROLE COMPOUNDS, COMPOSITIONS COMPRISING THE SUBSTITUTED PYRROLE COMPOUND, AND METHODS OF USE THEREOF META PHARMACEUTICALS (HK) LIMITED (CN) 2024-10-17 WO disclosed
US-11530198-B2 Compositions and methods for treating infections Vyera Pharmaceuticals, LLC (US) 2022-12-20 US disclosed
US-20200407345-A1 COMPOSITIONS AND METHODS FOR TREATING INFECTIONS TURING PHARMACEUTICALS LLC 2020-12-31 US disclosed
US-10774073-B2 Compositions and methods for treating infections Vyera Pharmaceuticals, LLC (US) 2020-09-15 US disclosed
US-20200270233-A1 DHFR INHIBITORS, COMPOSITIONS, AND METHODS RELATED THERETO Vyera Pharmaceuticals, LLC 2020-08-27 US disclosed
EP-3665165-A1 DHFR INHIBITORS, COMPOSITIONS, AND METHODS RELATED THERETO Vyera Pharmaceuticals, LLC (US) 2020-06-17 EP disclosed
CN-111225908-A DHFR inhibitors, compositions, and methods related thereto 维耶拉制药有限责任公司 2020-06-02 CN disclosed
WO-2020054670-A1 NOVEL HETEROAROMATIC AMIDE DERIVATIVE AND MEDICINE CONTAINING SAME 科研製薬株式会社 2020-03-19 WO disclosed
WO-2019032458-A1 DHFR INHIBITORS, COMPOSITIONS, AND METHODS RELATED THERETO Vyera Pharmaceuticals, LLC (US) 2019-02-14 WO disclosed
CN-109071486-A Compositions and methods for treating infections 维耶拉制药有限责任公司 2018-12-21 CN disclosed
EP-3411367-A1 COMPOSITIONS AND METHODS FOR TREATING INFECTIONS Vyera Pharmaceuticals, LLC (US) 2018-12-12 EP disclosed
WO-2017136556-A1 COMPOSITIONS AND METHODS FOR TREATING INFECTIONS TURING PHARMACEUTICALS LLC (US) 2017-08-10 WO disclosed
CN-101636398-A Pyridopyrimidinone compounds useful in treating sodium channel-mediated diseases or conditions XENON PHARMACEUTICALS INC 2010-01-27 CN disclosed
EP-2079737-A1 PYRIDOPYRIMIDINONE COMPOUNDS USEFUL IN TREATING SODIUM CHANNEL-MEDIATED DISEASES OR CONDITIONS XENON PHARMACEUTICALS INC. (CA) 2009-07-22 EP disclosed
US-20080194616-A1 PYRIDOPYRIMIDINONE COMPOUNDS USEFUL IN TREATING SODIUM CHANNEL-MEDIATED DISEASES OR CONDITIONS XENON PHARMACEUTICALS INC. (CA) 2008-08-14 US disclosed
WO-2008097991-A1 PYRIDOPYRIMIDINONE COMPOUNDS USEFUL IN TREATING SODIUM CHANNEL-MEDIATED DISEASES OR CONDITIONS XENON PHARMACEUTICALS INC. (CA) 2008-08-14 WO disclosed
US-6395766-B1 COGNITION ACTIVATORS MERCK SHARP & DOHME LIMITED (GB) 2002-05-28 US disclosed
WO-1999062899-A1 TETRAHYDROINDOLONE DERIVATIVES AS GABAAALPHA5 LIGANDS FOR ENHANCING COGNITION MERCK SHARP & DOHME LIMITED (GB) 1999-12-09 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 (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-20080194616-A1 PYRIDOPYRIMIDINONE COMPOUNDS USEFUL IN TREATING SODIUM CHANNEL-MEDIATED DISEASES OR CONDITIONS SCN1A, SCN3A, SCN1B MGAM 4126/4885GAA 2931/4885SI 2209/4885
US-20200407345-A1 COMPOSITIONS AND METHODS FOR TREATING INFECTIONS DHFR, DHODH, QDPR MGAM 1905/4885GAA 641/4885SI 1423/4885
US-11530198-B2 Compositions and methods for treating infections DHFR, DHODH, QDPR MGAM 1905/4885GAA 641/4885SI 1423/4885
US-20200270233-A1 DHFR INHIBITORS, COMPOSITIONS, AND METHODS RELATED THERETO DHFR, DHODH, FPGS MGAM 2855/4885GAA 391/4885SI 1167/4885
US-10774073-B2 Compositions and methods for treating infections DHFR, DHODH, QDPR MGAM 1905/4885GAA 641/4885SI 1423/4885

“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.