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Proglumetacin

Proglumetacin

SCHEMBL19642980

CCCN(CCC)C(=O)C(CCC(=O)OCCCN1CCN(CCOC(=O)Cc2c(C)n(C(=O)c3ccc(Cl)cc3)c3ccc(OC)cc23)CC1)NC(=O)c1ccccc1.O=C(O)/C=C/C(=O)O

nearest known ligand 0.56

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ADRB1ADRB2ATP4AATP4BAXLCHRM2CHRM3DRD2FLT3HRH1HTR2AHTR2BHTR2CKCNH2KMT2AMAP2K1MAP2K2MEN1MLNRPLK4RENS1PR1SLC6A2SLC6A4atpAatpBatpCatpDatpEatpFatpFHatpGpol

The experimentally established mechanism targets of Proglumetacin. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 17/20 0.56
▸ HTR1A P08908 1/20 0.48
▸ PKM P14618 1/20 0.48
▸ PTGS1 P23219 1/20 0.48
▸ GLO1 Q04760 1/20 0.48
▸ HIF1A Q16665 1/20 0.48
▸ CNR2 P34972 1/20 0.47
▸ AKR1C3 P42330 1/20 0.47

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
Proglumetacin SCHEMBL99165 1.00 PTGS2 (0.56) PTGS2HTR1APKMPTGS1GLO1
Proglumetacin SCHEMBL1650599 1.00 PTGS2 (0.56) PTGS2HTR1APKMPTGS1GLO1
Proglumetacin SCHEMBL27106 0.97 PTGS2 (0.59) PTGS2HTR1APKMPTGS1GLO1
Proglumetacin SCHEMBL29384391 0.97 PTGS2 (0.59) PTGS2HTR1APKMPTGS1GLO1
Proglumetacin SCHEMBL2070226 0.94 PTGS2 (0.55) PTGS2PTGS1
Proglumetacin SCHEMBL28086382 0.94 PTGS2 (0.55) PTGS2PTGS1
Proglumetacin SCHEMBL13724384 0.89 PTGS2 (0.49) PTGS2HTR1APKMPTGS1GLO1
SCHEMBL5077578 0.89 PTGS2 (0.57) PTGS2HTR1APKMPTGS1GLO1
Proglumetacin SCHEMBL4094289 0.88 PTGS2 (0.52) PTGS2
Proglumetacin SCHEMBL5482765 0.87 PTGS2 (0.47) PTGS2HTR1APKMPTGS1GLO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3664895-A1 COMBINATIONS AND USES AND TREATMENTS THEREOF VIIV Healthcare Company (US) 2020-06-17 — — EP disclosed
EP-3664896-A1 COMBINATIONS AND USES AND TREATMENTS THEREOF VIIV Healthcare Company (US) 2020-06-17 — — EP disclosed
WO-2019030626-A1 COMBINATIONS AND USES AND TREATMENTS THEREOF VIIV HEALTHCARE COMPANY (US) 2019-02-14 — — WO disclosed
WO-2019030625-A1 COMBINATIONS AND USES AND TREATMENTS THEREOF VIIV HEALTHCARE COMPANY (US) 2019-02-14 — — WO disclosed
WO-2018005909-A1 COMBINATIONS AND USES AND TREATMENTS THEREOF VIIV HEALTHCARE COMPANY (US) 2018-01-04 — — WO disclosed
WO-2017205585-A1 COMBINATIONS AND USES TREATMENTS THEREOF VIIV HEALTHCARE COMPANY (US) 2017-11-30 — — WO disclosed