SCHEMBL6402953

SCHEMBL6402953

Cc1c(NC(=O)OC(C)(C)C)ccc(NC(=O)N(C)Cc2ccccc2)c1C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ABCC1 P33527 2/20 0.53
CTSL P07711 2/20 0.47
CTSB P07858 2/20 0.47
CTSS P25774 2/20 0.47
AKT1 P31749 3/20 0.45
MTOR P42345 2/20 0.45
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
RIPK1 Q13546 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
BRD4 O60885 1/20 0.39
P2RX7 Q99572 1/20 0.39
KCNQ4 P56696 1/20 0.39
KCNQ5 Q9NR82 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
SCHEMBL6402233 0.90 KCNQ4 (0.43) ABCC1CTSLCTSBCTSSAKT1
SCHEMBL6397133 0.81 ABCC1 (0.57) ABCC1MTORNPC1RAB9A
SCHEMBL6398932 0.80 ABCC1 (0.59) ABCC1MTORNPC1RAB9ACA12
SCHEMBL4254558 0.76 CTSL (0.57) ABCC1CTSLCTSBCTSSAKT1
SCHEMBL28740739 0.75 ELANE (0.41) CA12CA1CA9
SCHEMBL3986782 0.74 METAP2 (0.47) CA12CA1CA9KCNQ4KCNQ5
SCHEMBL19700175 0.74 AKT1 (0.48) CTSLCTSBCTSSAKT1CA12
SCHEMBL28210980 0.74 BRD9 (0.39) CA12CA1CA9BRD4P2RX7
SCHEMBL23978843 0.73 CTSL (0.55) ABCC1CTSLCTSBCTSSAKT1
SCHEMBL6395566 0.73 CISD2 (0.40) NPC1RAB9ACA12CA1CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050059817-A1 Methods for synthesizing nucleosides, nucleoside derivatives and non-nucleoside derivatives SIRNA THERAPEUTICS, INC. (US) 2005-03-17 US disclosed
US-20050032795-A1 2-Amino-benzoxazinones for the treatment of herpes simplex virus G.D. SEARLE & CO. (US) 2005-02-10 US disclosed
US-6806269-B1 EFFECTIVE AT LOWER CONCENTRATIONS; SUCH AS 6-(((1,1-DIMETHYL-ETHOXY)CARBONYL)AMINO)-5-METHYL-2-(METHYL(PHENYLMETHYL) -AMINO)-4H-3,1-BENZOXAZIN-4-ONE G. D. SEARLE & COP 2004-10-19 US disclosed
US-6686463-B2 FEWER SYNTHETIC STEPS; INVOLVES FORMATION OF A 5',4'-BRIDGING SILYL PROTECTING GROUP TO FORM A FUSED SILOXANE ON THE FURAN RING SIRNA THERAPEUTICS, INC. 2004-02-03 US disclosed
EP-1210088-A4 2-AMINO-BENZOXAZINONES FOR THE TREATMENT OF HERPES SIMPLEX VIRUS SEARLE & CO (US) 2003-03-12 EP disclosed
US-20020150936-A1 Methods for synthesizing nucleosides, nucleoside derivatives and non-nucleoside derivatives RIBOZYME PHARMACEUTICALS, INC. 2002-10-17 US disclosed
US-20020120129-A1 Methods for synthesizing nucleosides, nucleoside derivatives and non-nucleoside derivatives RIBOZYME PHARMACEUTICALS, INC. 2002-08-29 US disclosed
EP-1210088-A1 2-AMINO-BENZOXAZINONES FOR THE TREATMENT OF HERPES SIMPLEX VIRUS G.D. SEARLE & CO. (US) 2002-06-05 EP disclosed
WO-2001003697-A1 2-AMINO-BENZOXAZINONES FOR THE TREATMENT OF HERPES SIMPLEX VIRUS G.D. SEARLE & CO. (US) 2001-01-18 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 (4 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-20050059817-A1 Methods for synthesizing nucleosides, nucleoside derivatives and non-nucleoside derivatives PNP, NSUN2, NT5C3B ABCC1 3415/4885CTSL 921/4885CTSB 3796/4885
US-20020120129-A1 Methods for synthesizing nucleosides, nucleoside derivatives and non-nucleoside derivatives PNP, NSUN2, NT5C3B ABCC1 3200/4885CTSL 917/4885CTSB 3692/4885
US-20020150936-A1 Methods for synthesizing nucleosides, nucleoside derivatives and non-nucleoside derivatives PNP, NSUN2, NT5C3B ABCC1 3649/4885CTSL 1011/4885CTSB 3865/4885
US-20050032795-A1 2-Amino-benzoxazinones for the treatment of herpes simplex virus GABBR1, GABBR2, EBNA1BP2 ABCC1 4017/4885CTSL 3576/4885CTSB 1806/4885

“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.