SCHEMBL2987273

SCHEMBL2987273

C=CC[C@H](C(=O)O)C(C)C

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 1/20 0.45
SLC1A2 P43004 1/20 0.45
SLC1A1 P43005 1/20 0.45
GRIK1 P39086 2/20 0.41
GRIK2 Q13002 2/20 0.41
CYP2C19 P33261 1/20 0.39
CPA1 P15085 1/20 0.39
ALDH1A1 P00352 1/20 0.36
MMP2 P08253 2/20 0.36
MMP3 P08254 2/20 0.36
MMP7 P09237 2/20 0.36
MMP1 P03956 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
TP53 P04637 1/20 0.33
SLC7A5 Q01650 1/20 0.33
ABCC4 O15439 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL2987274 1.00 SLC1A3 (0.45) SLC1A3SLC1A2SLC1A1GRIK1GRIK2
SCHEMBL4798136 1.00 SLC1A3 (0.45) SLC1A3SLC1A2SLC1A1GRIK1GRIK2
Urea SCHEMBL29215668 0.94 SLC1A3 (0.45) SLC1A3SLC1A2SLC1A1GRIK1GRIK2
SCHEMBL1133379 0.85 GRIK1 (0.46) SLC1A3SLC1A2SLC1A1GRIK1GRIK2
SCHEMBL17213409 0.85 GRIK1 (0.37) SLC1A3SLC1A2SLC1A1GRIK1GRIK2
SCHEMBL23688391 0.84 GRIK1 (0.39) SLC1A3SLC1A2SLC1A1GRIK1GRIK2
SCHEMBL8017237 0.84 GRIK1 (0.39) SLC1A3SLC1A2SLC1A1GRIK1GRIK2
SCHEMBL11199369 0.84 GRIK1 (0.39) SLC1A3SLC1A2SLC1A1GRIK1GRIK2
SCHEMBL6530499 0.84 GRIK1 (0.39) SLC1A3SLC1A2SLC1A1GRIK1GRIK2
SCHEMBL6530502 0.84 GRIK1 (0.39) SLC1A3SLC1A2SLC1A1GRIK1GRIK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103896794-B The preparation method of aliskiren intermediate and aliskiren CHANGCHUN INSTITUTE OF APPLIED CHEMISTRY CHINESE ACADEMY OF SCIENCES (CN) 2015-10-07 CN disclosed
EP-2062874-B1 Process and intermediates for the preparation of aliskiren KRKA TOVARNA ZDRAVIL D D NOVO MESTO (SI) 2014-12-17 EP disclosed
EP-2189442-B1 Process and intermediates for the preparation of aliskiren KRKA TOVARNA ZDRAVIL D D NOVO MESTO (SI) 2014-10-01 EP disclosed
EP-2189442-B1 Process and intermediates for the preparation of aliskiren KRKA TOVARNA ZDRAVIL D D NOVO MESTO (SI) 2014-10-01 EP disclosed
CN-103896794-A Aliskiren intermediate and method for preparing aliskiren CHANGCHUN APPLIED CHEMISTRY 2014-07-02 CN disclosed
US-20100184998-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-07-22 US disclosed
US-20100184998-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-07-22 US disclosed
US-20100184998-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-07-22 US disclosed
EP-2189442-A1 Process and intermediates for the preparation of aliskiren Krka Tovarna Zdravil, D.D., Novo Mesto (SI) 2010-05-26 EP disclosed
EP-2189442-A1 Process and intermediates for the preparation of aliskiren Krka Tovarna Zdravil, D.D., Novo Mesto (SI) 2010-05-26 EP disclosed
EP-2173698-A2 PROCESS FOR THE SYNTHESIS OF INTERMEDIATES OF RENIN INHIBITORS SUCH AS ALISKIREN Novartis Ag (CH) 2010-04-14 EP disclosed
CN-101679178-A Process for the synthesis of intermediates of renin inhibitors such as aliskiren NOVARTIS AG 2010-03-24 CN disclosed
EP-2062874-A1 Process and intermediates for the preparation of aliskiren KRKA, tovarna zdravil, d.d., Novo mesto (SI) 2009-05-27 EP disclosed
WO-2008155338-A2 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2008-12-24 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 (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-20100184998-A1 ORGANIC COMPOUNDS CYP1B1, CYP3A7, CYP2F1 SLC1A3 3643/4885SLC1A2 3915/4885SLC1A1 3140/4885

“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.