SCHEMBL9980200

SCHEMBL9980200

CCOC(=O)[C@H](C)NCCC[C@@H](N)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NOD1 Q9Y239 3/20 0.44
OTC P00480 1/20 0.41
GSR P00390 1/20 0.41
NOS1 P29475 3/20 0.40
DDAH1 O94760 3/20 0.40
METAP2 P50579 4/20 0.39
METAP1 P53582 2/20 0.39
MEN1 O00255 1/20 0.38
NOS3 P29474 1/20 0.38
CYP2C19 P33261 1/20 0.38
NOS2 P35228 1/20 0.38
KMT2A Q03164 1/20 0.38
ARG1 P05089 3/20 0.38
ARG2 P78540 3/20 0.38

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
SCHEMBL29067172 0.83 GSR (0.48) NOD1OTCGSRNOS1DDAH1
SCHEMBL30294237 0.83 GSR (0.48) NOD1OTCGSRNOS1DDAH1
SCHEMBL10939919 0.83 GSR (0.46) NOD1GSRNOS1DDAH1MEN1
SCHEMBL2504506 0.81 SMN1; SMN2 (0.41) METAP2METAP1KMT2A
SCHEMBL2504071 0.79 SMN1; SMN2 (0.41) METAP2METAP1KMT2A
SCHEMBL14985680 0.79 METAP2 (0.43) METAP2
SCHEMBL9974063 0.78 GSR (0.52) NOD1OTCGSRNOS1DDAH1
SCHEMBL21068053 0.78 GSR (0.52) NOD1OTCGSRNOS1DDAH1
SCHEMBL187909 0.78 GSR (0.52) NOD1OTCGSRNOS1DDAH1
SCHEMBL7807356 0.78 CYP1A2 (0.46) METAP2METAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170029408-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2017-02-02 US disclosed
US-8841278-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2014-09-23 US disclosed
US-8822430-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2014-09-02 US disclosed
US-8669234-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2014-03-11 US disclosed
US-20140039021-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2014-02-06 US disclosed
US-8575118-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2013-11-05 US disclosed
US-20130137877-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2013-05-30 US disclosed
US-20120264711-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-10-18 US disclosed
US-20120157404-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-06-21 US disclosed
US-8088368-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2012-01-03 US disclosed
US-20100310512-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2010-12-09 US 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 (6 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-20170029408-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 NOD1 1067/4885OTC 641/4885GSR 2800/4885
US-20130137877-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 NOD1 1067/4885OTC 641/4885GSR 2800/4885
US-20120264711-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 NOD1 1067/4885OTC 641/4885GSR 2800/4885
US-20120157404-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 NOD1 1067/4885OTC 641/4885GSR 2800/4885
US-20140039021-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 NOD1 1067/4885OTC 641/4885GSR 2800/4885
US-20100310512-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 NOD1 1067/4885OTC 641/4885GSR 2800/4885

“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.