SCHEMBL5415871

SCHEMBL5415871

CCC(NC(=O)OC(C)(C)C)C(O)c1nc(-c2cccnc2)co1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 3/20 0.39
ADRB1 P08588 3/20 0.39
ADRB3 P13945 3/20 0.39
RAB9A P51151 1/20 0.38
NAMPT P43490 2/20 0.36
CYP3A4 P08684 7/20 0.36
IDO1 P14902 1/20 0.36
HTT P42858 1/20 0.35
C3AR1 Q16581 1/20 0.35
SCN9A Q15858 1/20 0.35

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
SCHEMBL3622652 0.82 ALDH1A1 (0.44) RAB9ACYP3A4HTT
SCHEMBL5945959 0.82 ALDH1A1 (0.44) RAB9ACYP3A4HTT
SCHEMBL3622655 0.82 ALDH1A1 (0.44) RAB9ACYP3A4HTT
SCHEMBL5417764 0.81 RAB9A (0.41) ADRB2ADRB1ADRB3RAB9ANAMPT
SCHEMBL3622689 0.76 LMNA (0.44)
SCHEMBL3622690 0.76 LMNA (0.44)
SCHEMBL5521975 0.76 LMNA (0.44)
SCHEMBL5396598 0.74 CTSK (0.43)
SCHEMBL5955824 0.73 CA1 (0.40) HTT
SCHEMBL5955823 0.73 CA1 (0.40) HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070049594-A1 Novel compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2007-03-01 US disclosed
US-20040142999-A1 Novel compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2004-07-22 US disclosed
EP-1397340-A2 CHEMICAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS AS CATHEPSIN S INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2004-03-17 EP disclosed
EP-1383748-A2 NOVEL COMPOUNDS AND COMPOSITIONS AS CATHEPSIN INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2004-01-28 EP disclosed
WO-2002098850-A2 CHEMICAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS AS CATHEPSIN S INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2002-12-12 WO disclosed
WO-2002051983-A2 NOVEL COMPOUNDS AND COMPOSITIONS AS CATHEPSIN INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2002-07-04 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-20070049594-A1 Novel compounds and compositions as cathepsin inhibitors CTSS, CTSB, CTSE ADRB2 4294/4885ADRB1 3736/4885ADRB3 2779/4885
US-20040142999-A1 Novel compounds and compositions as cathepsin inhibitors CTSS, CTSB, CTSE ADRB2 4294/4885ADRB1 3736/4885ADRB3 2779/4885

“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.