SCHEMBL3240752

SCHEMBL3240752

COC(=O)C(N)C(N)C(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 2/20 0.41
NOS3 P29474 1/20 0.41
NOS2 P35228 1/20 0.41
DGAT1 O75907 1/20 0.41
CA14 Q9ULX7 3/20 0.41
CA12 O43570 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.36
KMT2A Q03164 2/20 0.33
LMNA P02545 1/20 0.33
CA2 P00918 3/20 0.32
CA1 P00915 2/20 0.32
CA7 P43166 1/20 0.32
SLC1A3 P43003 1/20 0.32
SLC1A2 P43004 1/20 0.32
SLC1A1 P43005 1/20 0.32
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
APLNR P35414 1/20 0.31
ITGA4 P13612 1/20 0.31
ITGB7 P26010 1/20 0.31

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
Hydrochloric Acid SCHEMBL28773975 0.98 NOS1 (0.41) NOS1NOS3NOS2DGAT1CA14
SCHEMBL28062530 0.91 NOS1 (0.46) NOS1NOS3NOS2DGAT1CA14
Hydrochloric Acid SCHEMBL8848963 0.88 NOS1 (0.45) NOS1NOS3NOS2DGAT1CA14
SCHEMBL15375592 0.85 CA14 (0.41) NOS1NOS3NOS2DGAT1CA14
SCHEMBL15375593 0.85 CA14 (0.41) NOS1NOS3NOS2DGAT1CA14
SCHEMBL16392545 0.84 SLC1A3 (0.41) NOS1NOS3NOS2DGAT1CA14
Hydrochloric Acid SCHEMBL3023545 0.84 CA14 (0.40) NOS1NOS3NOS2DGAT1CA14
SCHEMBL27593304 0.84 SLC1A3 (0.41) NOS1NOS3NOS2DGAT1CA14
SCHEMBL3204138 0.82 SLC7A5 (0.42) NOS1NOS3NOS2DGAT1KMT2A
SCHEMBL523836 0.82 DGAT1 (0.41) NOS1NOS3NOS2DGAT1CA14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107021895-A Antiseptic 尔察祯有限公司 2017-08-08 CN disclosed
US-9617256-B2 Antibacterial agents ACHAOGEN, INC. (US) 2017-04-11 US disclosed
US-20170088549-A1 ANTIBACTERIAL AGENTS ACHAOGEN, INC. 2017-03-30 US disclosed
CN-101765585-B Antibacterial agent 尔察祯有限公司 2017-03-15 CN disclosed
EP-2170814-B1 ANTIBACTERIAL AGENTS ACHAOGEN INC (US) 2016-08-17 EP disclosed
EP-2662353-A2 Antibacterial agents Achaogen, Inc. (US) 2013-11-13 EP disclosed
US-20100190766-A1 ANTIBACTERIAL AGENTS ACHAOGEN, INC. (US) 2010-07-29 US disclosed
CN-101765585-A Antibacterial agent ACHAOGEN INC 2010-06-30 CN disclosed
EP-2170814-A2 ANTIBACTERIAL AGENTS Achaogen, Inc. (US) 2010-04-07 EP disclosed
WO-2008154642-A2 ANTIBACTERIAL AGENTS ACHAOGEN, INC. (US) 2008-12-18 WO disclosed
WO-2005016883-A2 ACRYLAMIDE DERIVATIVES AS VLA-1 INTEGRIN ANTAGONISTS AND USES THEREOF ICOS CORPORATION (US) 2005-02-24 WO disclosed
CN-1202893-A Novel isoxazoline and isoxazole fibrinogen receptor antagonists DU PONT MERCK PHARMA (US) 1998-12-23 CN 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-20170088549-A1 ANTIBACTERIAL AGENTS MRPL21, SI, ABCB11 NOS1 1438/4885NOS3 2312/4885NOS2 1760/4885
US-20100190766-A1 ANTIBACTERIAL AGENTS MRPL21, SI, ABCB11 NOS1 1438/4885NOS3 2312/4885NOS2 1760/4885

“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.