SCHEMBL6077488

SCHEMBL6077488

CCC[C@H](NC(=O)[C@H](CCCc1ccccc1)[C@H](OC)C(=O)N1CCOCC1)C(=O)c1nc2ccccc2o1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PRSS8 Q16651 2/20 0.43
CTSS P25774 16/20 0.42
FAAH O00519 1/20 0.40
CES1 P23141 1/20 0.40
DAGLA Q9Y4D2 1/20 0.40
CTSL P07711 1/20 0.38
CTSB P07858 1/20 0.38
CTSK P43235 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL8362429 0.90 PRSS8 (0.42) PRSS8CTSSFAAHCES1DAGLA
SCHEMBL6076901 0.90 PRSS8 (0.42) PRSS8CTSSFAAHCES1DAGLA
SCHEMBL14563015 0.86 CTSS (0.46) CTSSFAAHCES1DAGLACYP3A4
SCHEMBL8361720 0.84 CTSS (0.44) CTSSFAAHCES1DAGLACYP3A4
SCHEMBL6076070 0.84 CTSS (0.44) CTSSFAAHCES1DAGLACYP3A4
SCHEMBL14562995 0.78 CTSS (0.48) CTSSFAAHCES1DAGLACTSL
SCHEMBL5955036 0.77 CTSS (0.44) PRSS8CTSSCYP3A4CYP2C9
SCHEMBL5955761 0.76 FKBP1A (0.49) CTSSFAAHCTSLCTSK
SCHEMBL5955215 0.76 FKBP1A (0.49) CTSSFAAHCTSLCTSK
SCHEMBL5955225 0.76 FKBP1A (0.49) CTSSFAAHCTSLCTSK

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-20030105099-A1 Novel compounds and compositions as cathepsin inhibitors AVENTIS PHARMACUETICALS INC. 2003-06-05 US claimed
US-7030116-B2 Compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2006-04-18 US disclosed
EP-1515726-A1 MORPHOLINE AND TETRAHYDROPYRAN DERIVATIVES AND THEIR USE AS CATHEPSIN INHIBITORS Aventis Pharmaceuticals, Inc. (US) 2005-03-23 EP disclosed
WO-2004002491-A1 MORPHOLINE AND TETRAHYDROPYRAN DRIVATIVES AND THEIR USE AS CATHEPSIN INHIBITORS AVENTIS PHARMACEUTICALS INC. (US) 2004-01-08 WO disclosed
WO-2004002491-A1 MORPHOLINE AND TETRAHYDROPYRAN DRIVATIVES AND THEIR USE AS CATHEPSIN INHIBITORS AVENTIS PHARMACEUTICALS INC. (US) 2004-01-08 WO disclosed
US-20030105099-A1 Novel compounds and compositions as cathepsin inhibitors AVENTIS PHARMACUETICALS INC. 2003-06-05 US 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 (1 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-20030105099-A1 Novel compounds and compositions as cathepsin inhibitors CTSS, CTSB, CTSE PRSS8 48/4885CTSS 1/4885FAAH 597/4885

“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.