SCHEMBL6742331

SCHEMBL6742331

CC(C)C(NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H](N)C(C)C)C(=O)C(F)(F)C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 7/20 0.45
DPP8 Q6V1X1 6/20 0.45
DPP9 Q86TI2 6/20 0.45
DPP7 Q9UHL4 1/20 0.45
FAP Q12884 1/20 0.45
ELANE P08246 8/20 0.44
CTSG P08311 1/20 0.38
CASP1 P29466 1/20 0.35
HTRA1 Q92743 2/20 0.34

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
SCHEMBL6738980 0.84 ELANE (0.41) DPP4DPP8DPP9DPP7FAP
SCHEMBL6743718 0.82 ELANE (0.48) ELANECTSG
SCHEMBL31061570 0.81 ELANE (0.62) DPP4DPP8DPP9DPP7FAP
SCHEMBL6740047 0.78 ELANE (0.46) ELANECTSGHTRA1
SCHEMBL24441115 0.77 DPP4 (0.57) DPP4DPP8DPP9DPP7FAP
Hydrochloric Acid SCHEMBL30537956 0.76 DPP4 (0.56) DPP4DPP8DPP9DPP7FAP
Hydrochloric Acid SCHEMBL29044244 0.76 DPP4 (0.56) DPP4DPP8DPP9DPP7FAP
Hydrochloric Acid SCHEMBL29044243 0.76 DPP4 (0.56) DPP4DPP8DPP9DPP7FAP
SCHEMBL8428295 0.75 ELANE (0.59) DPP4DPP8DPP9DPP7FAP
SCHEMBL20484692 0.72 DPP4 (0.61) DPP4DPP8DPP9DPP7FAP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6693072-B2 Elastase inhibitors AVENTIS PHARMACEUTICALS INC. 2004-02-17 US disclosed
EP-0804465-B1 NOVEL ELASTASE INHIBITORS AVENTIS PHARMA INC (US) 2003-08-06 EP disclosed
US-20030096759-A1 Novel elastase inhibitors AVENTISUB II INC. 2003-05-22 US disclosed
WO-1995033763-A1 NOVEL ELASTASE INHIBITORS HOECHST MARION ROUSSEL, INC. (US) 1995-12-14 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 (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-20030096759-A1 Novel elastase inhibitors ELANE, SERPINB1, MMP8 DPP4 468/4885DPP8 321/4885DPP9 211/4885

“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.