SCHEMBL4286297

SCHEMBL4286297

CCOC(=O)CN(Cc1ccccc1)C(=O)[C@@H](Cc1cc(F)c(F)cc1F)NC(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
CTSS P25774 6/20 0.44
CTSK P43235 4/20 0.44
CTSL P07711 2/20 0.42
CTSB P07858 2/20 0.42
ACE P12821 1/20 0.41
PSEN1 P49768 4/20 0.41
PSEN2 P49810 4/20 0.41
APH1B Q8WW43 4/20 0.41
NCSTN Q92542 4/20 0.41
APH1A Q96BI3 4/20 0.41
PSENEN Q9NZ42 4/20 0.41
PTPN1 P18031 1/20 0.41
TSHR P16473 1/20 0.41
SCN9A Q15858 1/20 0.40
TACR1 P25103 1/20 0.39
KLK5 Q9Y337 1/20 0.39

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 0.91 CTSS (0.54) ALDH1A1CTSSCTSKCTSLCTSB
SCHEMBL4281664 0.90 PTPN1 (0.45) ALDH1A1CTSSCTSKCTSLCTSB
SCHEMBL4295219 0.88 CTSS (0.48) ALDH1A1CTSSCTSKCTSLCTSB
SCHEMBL4282414 0.87 CTSS (0.56) ALDH1A1CTSSCTSKCTSLCTSB
SCHEMBL3492408 0.86 CTSS (0.52) CTSSCTSKCTSLCTSBACE
SCHEMBL4294527 0.86 SCN9A (0.46) ALDH1A1CTSSCTSKCTSLCTSB
SCHEMBL4294315 0.86 CTSS (0.54) ALDH1A1CTSSCTSKCTSLCTSB
SCHEMBL4283180 0.85 CTSS (0.47) CTSSCTSKCTSLCTSBACE
SCHEMBL26869285 0.85 CTSS (0.49) CTSSCTSKCTSLCTSBACE
SCHEMBL4972543 0.85 ITGA4 (0.48) ALDH1A1CTSSCTSKCTSLCTSB

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 ALDH1A1 388/4885CTSS 1321/4885CTSK 979/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT ALDH1A1 388/4885CTSS 1321/4885CTSK 979/4885

“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.