SCHEMBL6745333

SCHEMBL6745333

CC(=O)O[C@@H]1C[C@@H](C(=O)NC(C(=O)C(F)(F)C(F)(F)F)C(C)C)N(C(=O)[C@@H](NC(=O)c2ccc(C(=O)N3CCOCC3)cc2)C(C)C)C1

nearest known ligand 0.65

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ELANE P08246 15/20 0.65
CTSG P08311 1/20 0.47
MALT1 Q9UDY8 2/20 0.38
MLYCD O95822 1/20 0.37
ACACB O00763 1/20 0.35
EPHX2 P34913 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
SCHEMBL6740115 0.88 ELANE (0.70) ELANECTSGMALT1MLYCDEPHX2
SCHEMBL6741140 0.87 ELANE (0.61) ELANECTSG
SCHEMBL7335282 0.84 ELANE (0.91) ELANECTSGMALT1
SCHEMBL29941605 0.84 ELANE (0.91) ELANECTSGMALT1
SCHEMBL7863699 0.81 ELANE (0.62) ELANECTSGMALT1MLYCDACACB
SCHEMBL7859514 0.81 ELANE (0.62) ELANECTSGMALT1MLYCDACACB
SCHEMBL7963859 0.81 ELANE (0.85) ELANECTSGMALT1
SCHEMBL7333552 0.79 ELANE (1.00) ELANECTSGMALT1
SCHEMBL7330574 0.79 ELANE (0.95) ELANECTSGMALT1
SCHEMBL7861402 0.77 ELANE (0.85) ELANECTSGMALT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030096759-A1 Novel elastase inhibitors AVENTISUB II INC. 2003-05-22 US claimed
EP-0804465-A1 NOVEL ELASTASE INHIBITORS HOECHST MARION ROUSSEL, INC. (US) 1997-11-05 EP claimed
WO-1995033763-A1 NOVEL ELASTASE INHIBITORS HOECHST MARION ROUSSEL, INC. (US) 1995-12-14 WO claimed
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
EP-0804465-A1 NOVEL ELASTASE INHIBITORS HOECHST MARION ROUSSEL, INC. (US) 1997-11-05 EP 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 ELANE 1/4885CTSG 91/4885MALT1 3533/4885

“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.