Sugi Predict

Sugi Predict / Compounds / SCHEMBL4295219

SCHEMBL4295219

SCHEMBL4295219

CCOC(=O)CN(Cc1ccccc1)C(=O)[C@@H](Cc1cc(F)cc(F)c1)NC(=O)OC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 7/20 0.48
▸ CTSK P43235 5/20 0.48
▸ ACE P12821 1/20 0.45
▸ CTSB P07858 3/20 0.44
▸ CTSL P07711 2/20 0.44
▸ PSEN1 P49768 4/20 0.42
▸ PSEN2 P49810 4/20 0.42
▸ APH1B Q8WW43 4/20 0.42
▸ NCSTN Q92542 4/20 0.42
▸ APH1A Q96BI3 4/20 0.42
▸ PSENEN Q9NZ42 4/20 0.42
▸ KLK5 Q9Y337 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ ALDH1A1 P00352 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
SCHEMBL4282414 0.94 CTSS (0.56) CTSSCTSKACECTSBCTSL
SCHEMBL3492408 0.92 CTSS (0.52) CTSSCTSKACECTSBCTSL
SCHEMBL4281664 0.89 PTPN1 (0.45) CTSSCTSKACECTSBCTSL
SCHEMBL13705277 0.88 CTSS (0.53) CTSSCTSKACECTSBCTSL
SCHEMBL4286297 0.88 ALDH1A1 (0.44) CTSSCTSKACECTSBCTSL
SCHEMBL4282127 0.87 CTSS (0.54) CTSSCTSKCTSBCTSLPSEN1
SCHEMBL4976485 0.87 CTSS (0.51) CTSSCTSKACECTSBCTSL
SCHEMBL4291282 0.87 CTSS (0.51) CTSSCTSKACECTSBCTSL
SCHEMBL4976482 0.87 CTSS (0.51) CTSSCTSKACECTSBCTSL
SCHEMBL4290592 0.87 SCN9A (0.45) CTSSCTSKACECTSBCTSL

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 CTSS 1321/4885CTSK 979/4885ACE 2/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT CTSS 1321/4885CTSK 979/4885ACE 2/4885

“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.