SCHEMBL6799137

SCHEMBL6799137

COc1ccc(C[C@H](Nc2nc3ccc(CN(C(=O)O)C(C)(C)C)c(C)c3c(=O)o2)C(=O)N2CCCC2)cc1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTRB1 P17538 3/20 0.39
ELANE P08246 11/20 0.38
KMT2A Q03164 2/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
CALCRL Q16602 1/20 0.34
CACNA1B Q00975 1/20 0.34
F2 P00734 2/20 0.33

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
SCHEMBL6809994 0.94 CTRB1 (0.38) CTRB1ELANEKMT2ANPC1RAB9A
SCHEMBL6529038 0.89 ELANE (0.36) ELANEKMT2ACALCRLCACNA1BF2
SCHEMBL6529037 0.89 ELANE (0.36) ELANEKMT2ACALCRLCACNA1BF2
SCHEMBL7840950 0.87 CTRB1 (0.43) CTRB1ELANEKMT2ANPC1RAB9A
SCHEMBL6807471 0.85 ELANE (0.42) CTRB1ELANEKMT2ANPC1RAB9A
SCHEMBL7451745 0.84 ELANE (0.43) CTRB1ELANEKMT2ANPC1RAB9A
SCHEMBL6497728 0.84 ELANE (0.38) CTRB1ELANEKMT2ACACNA1B
SCHEMBL6805471 0.84 ELANE (0.43) CTRB1ELANENPC1
SCHEMBL6803240 0.84 ELANE (0.43) CTRB1ELANE
SCHEMBL6917846 0.84 ELANE (0.38) CTRB1ELANE

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-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 claimed
US-20030022895-A1 2-Amino-benzoxazinones for the treatment of viral infections G.D. SEARLE & CO. 2003-01-30 US claimed
US-6380189-B1 FOR TREATING HERPES-RELATED DISORDERS G.D. SEARLE & CO. 2002-04-30 US claimed
EP-0828721-B1 2-AMINO-BENZOXAZINONES FOR THE TREATMENT OF VIRAL INFECTIONS SEARLE & CO (US) 2001-11-14 EP claimed
WO-1996037485-A1 2-AMINO-BENZOXAZINONES FOR THE TREATMENT OF VIRAL INFECTIONS G.D. SEARLE & CO. (US) 1996-11-28 WO claimed
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

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-20030022895-A1 2-Amino-benzoxazinones for the treatment of viral infections IFNAR1, IL4I1, HAX1 CTRB1 2628/4885ELANE 2176/4885KMT2A 1555/4885

“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.