SCHEMBL6508682

SCHEMBL6508682

Cc1c(NC(=O)OC(C)(C)C)ccc2nc(N[C@@H](COCc3ccccc3)C(=O)O)oc(=O)c12

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ELANE P08246 7/20 0.68
CTRB1 P17538 4/20 0.68
PPARA Q07869 2/20 0.48
PPARG P37231 1/20 0.44
CTSS P25774 1/20 0.42
KLK7 P49862 2/20 0.40
KLK5 Q9Y337 2/20 0.40
PTPN1 P18031 4/20 0.39
CDC25B P30305 4/20 0.39
PTPN2 P17706 3/20 0.39
CDC25A P30304 2/20 0.39
PTPN6 P29350 1/20 0.39
PTPN11 Q06124 1/20 0.39

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
SCHEMBL6496223 0.90 ELANE (0.72) ELANECTRB1CTSSPTPN1
SCHEMBL6495590 0.88 ELANE (0.69) ELANECTRB1
SCHEMBL6501287 0.85 ELANE (0.70) ELANECTRB1
SCHEMBL7837321 0.85 ELANE (0.70) ELANECTRB1KLK5
SCHEMBL6505597 0.84 ELANE (0.68) ELANECTRB1
SCHEMBL6499875 0.83 ELANE (0.67) ELANECTRB1CTSS
SCHEMBL6499066 0.83 ELANE (0.64) ELANECTRB1PTPN1
SCHEMBL6504653 0.82 ELANE (0.66) ELANECTRB1
SCHEMBL6498011 0.82 ELANE (0.63) ELANECTRB1PPARAPPARGPTPN1
SCHEMBL6496888 0.82 ELANE (0.65) ELANECTRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5985872-A THERAPEUTIC TREATMENT OF HERPES VIRAL INFECTION G.D. SEARLE & CO. (US) 1999-11-16 US claimed
US-20050032793-A1 2-amino-benzoxazinones for the treatment of viral infections G.D. SEARLE & CO. (US) 2005-02-10 US disclosed
US-6683077-B2 4H-3,1-BENZOXAZIN-4-ONE COMPOUNDS OF GIVEN FORMULA; HERPES INFECTIONS; ASSEMBLIN PROTEASE INHIBITORS G.D. SEARLE & CO. 2004-01-27 US disclosed
US-20030022895-A1 2-Amino-benzoxazinones for the treatment of viral infections G.D. SEARLE & CO. 2003-01-30 US disclosed
US-6380189-B1 FOR TREATING HERPES-RELATED DISORDERS G.D. SEARLE & CO. 2002-04-30 US disclosed
EP-0828721-B1 2-AMINO-BENZOXAZINONES FOR THE TREATMENT OF VIRAL INFECTIONS SEARLE & CO (US) 2001-11-14 EP disclosed
EP-1122245-A2 2-Amino-benzoxazinones for the treatment of viral infections G.D. Searle & Co. (US) 2001-08-08 EP disclosed
US-5985872-A THERAPEUTIC TREATMENT OF HERPES VIRAL INFECTION G.D. SEARLE & CO. (US) 1999-11-16 US disclosed
EP-0828721-A1 2-AMINO-BENZOXAZINONES FOR THE TREATMENT OF VIRAL INFECTIONS G.D. SEARLE & CO. (US) 1998-03-18 EP disclosed
WO-1996037485-A1 2-AMINO-BENZOXAZINONES FOR THE TREATMENT OF VIRAL INFECTIONS G.D. SEARLE & CO. (US) 1996-11-28 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-20030022895-A1 2-Amino-benzoxazinones for the treatment of viral infections IFNAR1, IL4I1, HAX1 ELANE 2176/4885CTRB1 2628/4885PPARA 2757/4885
US-20050032793-A1 2-amino-benzoxazinones for the treatment of viral infections IFNAR1, IL4I1, ACE2 ELANE 1199/4885CTRB1 1716/4885PPARA 3247/4885

“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.