SCHEMBL3942830

SCHEMBL3942830

O=C([O-])CNCCN(CC(=O)[O-])CC(=O)[O-].O=C([O-])CNCCN(CC(=O)[O-])CC(=O)[O-].[Ca+2].[Ca+2].[Ca+2]

nearest known ligand 0.45

Known targets — ChEMBL curated mechanism

GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHMGCRMMP1MMP13MMP7MMP8PTGS1PTGS2ileSpolrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.45
ALOX15 P16050 2/20 0.45
MAPT P10636 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TDP1 Q9NUW8 2/20 0.31
EYA2 O00167 1/20 0.31
APP P05067 1/20 0.31
ACE P12821 1/20 0.31
CA4 P22748 2/20 0.31
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
LMNA P02545 1/20 0.30
CHRM2 P08172 1/20 0.30
ADRA2A P08913 1/20 0.30
TSHR P16473 1/20 0.30
DRD1 P21728 1/20 0.30
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
CYP2C19 P33261 1/20 0.30
ADRA1A P35348 1/20 0.30

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
SCHEMBL10336315 0.96 KDM4E (0.45) KDM4EALOX15MAPTSMN1; SMN2TDP1
Silver SCHEMBL8852446 0.96 KDM4E (0.45) KDM4EALOX15MAPTSMN1; SMN2TDP1
SCHEMBL1091948 0.96 KDM4E (0.50) KDM4EALOX15MAPTSMN1; SMN2TDP1
SCHEMBL1981343 0.82 KDM4E (0.38) KDM4EALOX15MAPTSMN1; SMN2
Edetic Acid SCHEMBL8726325 0.81 ALOX15 (0.48) KDM4EALOX15MAPTSMN1; SMN2TDP1
Edetic Acid SCHEMBL2112976 0.81 ALOX15 (0.44) KDM4EALOX15MAPTSMN1; SMN2TDP1
SCHEMBL31636037 0.81 TDP1 (0.45) KDM4EALOX15MAPTSMN1; SMN2TDP1
Edetic Acid SCHEMBL5729 0.77 KDM4E (0.68) KDM4EALOX15MAPTSMN1; SMN2TDP1
Edetic Acid SCHEMBL770659 0.77 KDM4E (0.68) KDM4EALOX15MAPTSMN1; SMN2TDP1
Edetic Acid SCHEMBL5485760 0.74 KDM4E (0.73) KDM4EALOX15MAPTSMN1; SMN2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230414490-A1 FORMULATIONS FOR PARENTERAL DELIVERY OF COMPOUNDS AND USES THEREOF WYETH, LLC (US) 2023-12-28 US claimed
US-20220023200-A1 FORMULATIONS FOR PARENTERAL DELIVERY OF COMPOUNDS AND USES THEREOF WYETH, LLC (US) 2022-01-27 US claimed
US-20200179270-A1 FORMULATIONS FOR PARENTERAL DELIVERY OF COMPOUNDS AND USES THEREOF WYETH, LLC (US) 2020-06-11 US claimed
US-10357449-B2 2019-07-23 US claimed
US-20160338946-A1 FORMULATIONS FOR PARENTERAL DELIVERY OF COMPOUNDS AND USES THEREOF WYETH, LLC (US) 2016-11-24 US claimed
US-20150025100-A1 FORMULATIONS FOR PARENTERAL DELIVERY OF COMPOUNDS AND USES THEREOF PROGENICS PHARMACEUTICALS, INC. (US) 2015-01-22 US claimed
EP-2046388-A2 FORMULATIONS FOR PARENTERAL DELIVERY OF COMPOUNDS AND USES THEREOF Wyeth a Corporation of the State of Delaware (US) 2009-04-15 EP claimed
US-20080070975-A1 Formulations for parenteral delivery of compounds and uses thereof WYETH (US) 2008-03-20 US claimed
WO-2008019115-A2 FORMULATIONS FOR PARENTERAL DELIVERY OF COMPOUNDS AND USES THEREOF WYETH (US) 2008-02-14 WO 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 (7 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-20200179270-A1 FORMULATIONS FOR PARENTERAL DELIVERY OF COMPOUNDS AND USES THEREOF OPRL1, OPRK1, OPRM1 KDM4E 557/4885ALOX15 1371/4885MAPT 3070/4885
US-20220023200-A1 FORMULATIONS FOR PARENTERAL DELIVERY OF COMPOUNDS AND USES THEREOF OPRL1, OPRK1, OPRM1 KDM4E 557/4885ALOX15 1371/4885MAPT 3070/4885
US-20230414490-A1 FORMULATIONS FOR PARENTERAL DELIVERY OF COMPOUNDS AND USES THEREOF OPRL1, OPRK1, OPRM1 KDM4E 557/4885ALOX15 1371/4885MAPT 3070/4885
US-10357449-B2 OPRL1, OPRK1, OPRM1 KDM4E 428/4885ALOX15 2490/4885MAPT 1818/4885
US-20150025100-A1 FORMULATIONS FOR PARENTERAL DELIVERY OF COMPOUNDS AND USES THEREOF OPRL1, OPRK1, OPRM1 KDM4E 557/4885ALOX15 1371/4885MAPT 3070/4885
US-20080070975-A1 Formulations for parenteral delivery of compounds and uses thereof OPRL1, OPRK1, OPRM1 KDM4E 557/4885ALOX15 1371/4885MAPT 3070/4885
US-20160338946-A1 FORMULATIONS FOR PARENTERAL DELIVERY OF COMPOUNDS AND USES THEREOF OPRL1, OPRK1, OPRM1 KDM4E 557/4885ALOX15 1371/4885MAPT 3070/4885

“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.