SCHEMBL1067976

SCHEMBL1067976

CN(CCCOC(=O)c1ccccc1)C(=O)OC(C)(C)C

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.55
SMN1; SMN2 Q16637 1/20 0.49
LMNA P02545 2/20 0.49
GAA P10253 2/20 0.48
ALDH1A1 P00352 2/20 0.45
CYP1A2 P05177 2/20 0.44
CYP2D6 P10635 2/20 0.44
CYP2C19 P33261 1/20 0.44
MAPK1 P28482 2/20 0.43
HIF1A Q16665 1/20 0.43
CHRM2 P08172 1/20 0.42
CYP3A4 P08684 1/20 0.42
HTR1A P08908 1/20 0.42
DRD3 P35462 1/20 0.42
SCN1A P35498 1/20 0.42
SLC6A3 Q01959 1/20 0.42
KCNH2 Q12809 1/20 0.42
SCN2A Q99250 1/20 0.42
SCN3A Q9NY46 1/20 0.42
TSHR P16473 2/20 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
SCHEMBL20164205 0.83 TDP1 (0.58) TDP1SMN1; SMN2LMNAGAAALDH1A1
SCHEMBL15933417 0.81 TDP1 (0.64) TDP1SMN1; SMN2LMNAGAAALDH1A1
SCHEMBL11287086 0.79 GAA (0.71) TDP1SMN1; SMN2LMNAGAAALDH1A1
SCHEMBL24765207 0.79 TDP1 (0.52) TDP1SMN1; SMN2LMNAALDH1A1MAPK1
SCHEMBL21998139 0.78 L3MBTL1 (0.56) SMN1; SMN2LMNAALDH1A1L3MBTL1
SCHEMBL6415229 0.78 TDP1 (0.58) TDP1SMN1; SMN2LMNAGAAALDH1A1
SCHEMBL3000441 0.78 CYP4F2 (0.46) SMN1; SMN2LMNAALDH1A1CYP1A2CYP2D6
SCHEMBL13886642 0.77 LTA4H (0.59) SMN1; SMN2ALDH1A1PDK2
SCHEMBL21848475 0.77 KMT2A (0.58) TDP1SMN1; SMN2LMNAGAAALDH1A1
SCHEMBL24765209 0.77 TDP1 (0.50) TDP1SMN1; SMN2LMNAALDH1A1SCN1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4313156-A1 DISULFIDE-BASED PRODRUG COMPOUNDS Ludwig-Maximilians-Universität München (DE) 2024-02-07 EP disclosed
WO-2022200347-A1 DISULFIDE-BASED PRODRUG COMPOUNDS LUDWIG-MAXIMILIANS-UNIVERSITÄT MÜNCHEN (DE) 2022-09-29 WO disclosed
EP-2277510-B1 Controlled release preparation TAKEDA PHARMACEUTICALS CO (JP) 2018-12-26 EP disclosed
EP-1602362-B1 DRUG COMPOSITION HAVING ACTIVE INGREDIENT ADHERED AT HIGH CONCENTRATION TO SPHERICAL CORE TAKEDA PHARMACEUTICAL (JP) 2016-09-28 EP disclosed
US-20160128945-A1 CONTROLLED RELEASE PREPARATION TAKEDA PHARMACEUTICAL (JP) 2016-05-12 US disclosed
US-8980322-B2 Controlled release composition TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-03-17 US disclosed
US-8784885-B2 Controlled release preparation TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-07-22 US disclosed
US-20140186448-A1 CONTROLLED RELEASE PREPARATION TAKEDA PHARMACEUTICAL (JP) 2014-07-03 US disclosed
US-20140186449-A1 CONTROLLED RELEASE PREPARATION TAKEDA PHARMACEUTICAL (JP) 2014-07-03 US disclosed
US-8722084-B2 Controlled release preparation TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-05-13 US disclosed
US-20100272798-A1 CONTROLLED RELEASE PREPARATION TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-10-28 US disclosed
US-7790755-B2 dexlansoprazole FDA Orange book listed patent; capsules with pH dependently soluble polymers such as methyl methacrylate-methacrylic acid copolymers or cellulose esters TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-07 US disclosed
EP-1513527-B1 PRODRUGS OF IMIDAZOLE DERIVATIVES, FOR USE AS PROTON PUMP INHIBITORS IN THE TREATMENT OF E.G. PEPTIC ULCERS TAKEDA PHARMACEUTICAL (JP) 2009-07-29 EP disclosed
US-7410981-B2 Prodrugs of imidazole derivatives, for use as proton pump inhibitors in the treatment of e.g. peptic ulcers TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-08-12 US disclosed
US-20060177509-A1 Controlled release composition TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-08-10 US disclosed
US-20060159760-A1 Drug composition having active ingredient adhered at high concentration to spherical core AOYAMA & PARTNERS 2006-07-20 US disclosed
US-20060013868-A1 Controlled release preparation TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-01-19 US disclosed
EP-1607088-A1 CONTROLLED RELEASE COMPOSITION Takeda Pharmaceutical Company Limited (JP) 2005-12-21 EP disclosed
EP-1602362-A1 DRUG COMPOSITION HAVING ACTIVE INGREDIENT ADHERED AT HIGH CONCENTRATION TO SPHERICAL CORE Takeda Pharmaceutical Company Limited (JP) 2005-12-07 EP disclosed
US-20050222210-A1 Prodrugs of imidazole derivatives, for use as proton pump inhibitors in the treatment of e.g. peptic ulcers TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-10-06 US 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 (8 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-20050222210-A1 Prodrugs of imidazole derivatives, for use as proton pump inhibitors in the treatment of e.g. peptic ulcers SI, VIP, PGC TDP1 3839/4885SMN1; SMN2 4683/4885LMNA 4410/4885
US-20100272798-A1 CONTROLLED RELEASE PREPARATION SLC18A1, MLN, GCG TDP1 3586/4885SMN1; SMN2 2537/4885LMNA 1902/4885
US-20160128945-A1 CONTROLLED RELEASE PREPARATION SLC18A1, MLN, GCG TDP1 3586/4885SMN1; SMN2 2537/4885LMNA 1902/4885
US-20060159760-A1 Drug composition having active ingredient adhered at high concentration to spherical core SLC18A1, MAST1, ABCG2 TDP1 1736/4885SMN1; SMN2 3103/4885LMNA 2036/4885
US-20060013868-A1 Controlled release preparation SLC18A1, MLN, GCG TDP1 3586/4885SMN1; SMN2 2537/4885LMNA 1902/4885
US-20140186449-A1 CONTROLLED RELEASE PREPARATION SLC18A1, MLN, GCG TDP1 3586/4885SMN1; SMN2 2537/4885LMNA 1902/4885
US-20140186448-A1 CONTROLLED RELEASE PREPARATION SLC18A1, MLN, GCG TDP1 3586/4885SMN1; SMN2 2537/4885LMNA 1902/4885
US-20060177509-A1 Controlled release composition ATP6AP1, NSF, ATP6V1G1 TDP1 2925/4885SMN1; SMN2 3942/4885LMNA 1642/4885

“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.