SCHEMBL4294527

SCHEMBL4294527

CCOC(=O)CN(Cc1ccccc1)C(=O)[C@@H](Cc1ccccc1C(F)(F)F)NC(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 9/20 0.46
CYP3A4 P08684 3/20 0.46
SCN10A Q9Y5Y9 2/20 0.46
PSEN1 P49768 4/20 0.43
PSEN2 P49810 4/20 0.43
APH1B Q8WW43 4/20 0.43
NCSTN Q92542 4/20 0.43
APH1A Q96BI3 4/20 0.43
PSENEN Q9NZ42 4/20 0.43
ALDH1A1 P00352 1/20 0.42
CTSS P25774 3/20 0.42
CTSL P07711 1/20 0.42
CTSB P07858 1/20 0.42
CTSK P43235 2/20 0.42
EPHX2 P34913 2/20 0.41
PPARG P37231 1/20 0.41

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
SCHEMBL4282127 0.89 CTSS (0.54) SCN9APSEN1PSEN2APH1BNCSTN
SCHEMBL4294315 0.88 CTSS (0.54) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4972543 0.87 ITGA4 (0.48) SCN9APSEN1PSEN2APH1BNCSTN
SCHEMBL4972546 0.87 ITGA4 (0.48) SCN9APSEN1PSEN2APH1BNCSTN
SCHEMBL3554240 0.87 CTSS (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3562113 0.87 CTSS (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4286297 0.86 ALDH1A1 (0.44) SCN9APSEN1PSEN2APH1BNCSTN
SCHEMBL4290592 0.85 SCN9A (0.45) SCN9ACYP3A4PSEN1PSEN2APH1B
SCHEMBL8114839 0.85 SCN9A (0.45) SCN9ACYP3A4PSEN1PSEN2APH1B
SCHEMBL4283180 0.85 CTSS (0.47) PSEN1PSEN2APH1BNCSTNAPH1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090227560-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-10 US disclosed
US-20090227560-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-10 US disclosed
US-20090227560-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-10 US disclosed
US-20090156612-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 US disclosed
US-20090156612-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 US disclosed
US-20090156612-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 US disclosed
WO-2008139941-A1 SUBSTITUTED IMIDAZOLE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-11-20 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 (2 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-20090156612-A1 Substituted imidazole compound and use thereof REN, ACE, AGT SCN9A 1866/4885CYP3A4 50/4885SCN10A 2828/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT SCN9A 1866/4885CYP3A4 50/4885SCN10A 2828/4885

“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.