SCHEMBL4295537

SCHEMBL4295537

CCOC(=O)CN(Cc1ccccc1)C(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 3/20 0.59
CTSL P07711 4/20 0.57
CTSS P25774 1/20 0.57
CTSK P43235 1/20 0.57
ACE P12821 1/20 0.57
MAPT P10636 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
SCN9A Q15858 1/20 0.53
KLK7 P49862 1/20 0.53
TP53 P04637 1/20 0.53
CCKBR P32239 3/20 0.51
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
KLK5 Q9Y337 1/20 0.49
SSTR3 P32745 1/20 0.49

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
SCHEMBL4972543 0.84 ITGA4 (0.48) TACR1CTSLCTSSCTSKSCN9A
SCHEMBL4972546 0.84 ITGA4 (0.48) TACR1CTSLCTSSCTSKSCN9A
SCHEMBL8343097 0.84 TACR1 (0.75) TACR1CTSLCTSSCTSKACE
SCHEMBL8343099 0.84 TACR1 (0.75) TACR1CTSLCTSSCTSKACE
SCHEMBL4294315 0.84 CTSS (0.54) CTSLCTSSCTSKACEALDH1A1
SCHEMBL4282127 0.84 CTSS (0.54) CTSLCTSSCTSKSCN9AALDH1A1
SCHEMBL4283180 0.83 CTSS (0.47) CTSLCTSSCTSKACE
SCHEMBL26869285 0.83 CTSS (0.49) CTSLCTSSCTSKACE
SCHEMBL13705277 0.82 CTSS (0.53) CTSLCTSSCTSKACEKLK5
SCHEMBL4286297 0.82 ALDH1A1 (0.44) TACR1CTSLCTSSCTSKACE

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 TACR1 97/4885CTSL 541/4885CTSS 1321/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT TACR1 97/4885CTSL 541/4885CTSS 1321/4885

“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.