SCHEMBL1424869

SCHEMBL1424869

Cc1ncc(C(=O)OC(C)(C)C)cc1CC(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.38
POLB P06746 2/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
AAK1 Q2M2I8 6/20 0.34
MET P08581 1/20 0.33
CRBN Q96SW2 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
GABRA1 P14867 5/20 0.32
GABRG2 P18507 5/20 0.32
GABRB3 P28472 5/20 0.32
GABRA3 P34903 5/20 0.32
GABRA2 P47869 5/20 0.32
GABRA5 P31644 4/20 0.32
GABRA4 P48169 3/20 0.32
GABRA6 Q16445 3/20 0.32
GABRP O00591 1/20 0.32
GABRD O14764 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
SCHEMBL1425213 0.79 HCAR3 (0.42) ALDH1A1MAPK1KDM4EMAPT
Hydrochloric Acid SCHEMBL1425568 0.78 HCAR3 (0.41) ALDH1A1KDM4EMAPT
SCHEMBL1424795 0.75 TDP1 (0.41) ALDH1A1MAPK1METTDP1GABRA1
SCHEMBL5519457 0.75 ALOX15 (0.40) SLC7A5ALDH1A1METNPSR1GABRA1
SCHEMBL1425422 0.74 MET (0.35) SLC7A5ALDH1A1MAPK1METCRBN
SCHEMBL3706046 0.72 GABRA1 (0.36) SLC7A5ALDH1A1MAPK1METCRBN
SCHEMBL21151416 0.72 MET (0.33) SLC7A5ALDH1A1METGABRA1GABRG2
SCHEMBL27672331 0.72 SLC7A5 (0.34) SLC7A5POLBMETNPSR1TDP1
SCHEMBL3219189 0.72 SLC7A5 (0.42) SLC7A5ALDH1A1GABRA1GABRG2GABRB3
SCHEMBL3699938 0.71 ALDH1A1 (0.34) SLC7A5ALDH1A1MAPK1METTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8598208-B2 Pyridine derivatives as S1P1/EDG1 receptor modulators ACTELION PHARMACEUTICALS LTD. (CH) 2013-12-03 US disclosed
EP-2069335-B1 PYRIDIN-3-YL DERIVATIVES AS IMMUNOMODULATING AGENTS ACTELION PHARMACEUTICALS LTD (CH) 2012-12-26 EP disclosed
US-8288554-B2 Pyridin-3-yl derivatives as immunomodulating agents ACTELION PHARMACEUTICALS LTD. (CH) 2012-10-16 US disclosed
US-20110212998-A1 PYRIDINE DERIVATIVES AS S1P1/EDG1 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD. (CH) 2011-09-01 US disclosed
EP-2195311-B1 PYRIDINE DERIVATIVES AS S1P1/EDG1 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD (CH) 2011-03-23 EP disclosed
US-20100168005-A1 Pyridin-3-yl derivatives as immunomodulating agents ACTELION PHARMACEUTICALS LTD. (CH) 2010-07-01 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 (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-20100168005-A1 Pyridin-3-yl derivatives as immunomodulating agents CD4, FCGRT, CD47 SLC7A5 4678/4885POLB 4056/4885ALDH1A1 1077/4885
US-20110212998-A1 PYRIDINE DERIVATIVES AS S1P1/EDG1 RECEPTOR MODULATORS S1PR1, S1PR3, S1PR2 SLC7A5 4409/4885POLB 4759/4885ALDH1A1 1720/4885

“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.