SCHEMBL1270342

SCHEMBL1270342

Cc1nc(C(=O)NCC(=O)O)c(O)c2sc3ccccc3c12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 20/20 1.00
BBOX1 O75936 2/20 0.53
FTO Q9C0B1 2/20 0.53
THRA P10827 1/20 0.51
THRB P10828 1/20 0.51
SLC6A2 P23975 1/20 0.51
SLC6A3 Q01959 1/20 0.51
ASPH Q12797 1/20 0.51
KDM8 Q8N371 1/20 0.51

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
SCHEMBL1269131 0.87 EGLN1 (1.00) EGLN1BBOX1FTOTHRATHRB
SCHEMBL1270465 0.86 EGLN1 (0.78) EGLN1BBOX1FTOTHRATHRB
SCHEMBL1270138 0.85 EGLN1 (0.74) EGLN1BBOX1FTOTHRATHRB
SCHEMBL1811891 0.84 EGLN1 (0.72) EGLN1BBOX1FTOTHRATHRB
SCHEMBL1269306 0.84 EGLN1 (1.00) EGLN1BBOX1FTOTHRATHRB
SCHEMBL1811321 0.84 EGLN1 (0.72) EGLN1BBOX1FTOTHRATHRB
SCHEMBL1809907 0.82 EGLN1 (0.69) EGLN1BBOX1FTOTHRATHRB
SCHEMBL1811976 0.81 EGLN1 (0.69) EGLN1BBOX1FTOTHRATHRB
SCHEMBL12896210 0.80 EGLN1 (0.77) EGLN1BBOX1FTOTHRATHRB
SCHEMBL1811637 0.80 EGLN1 (0.66) EGLN1BBOX1FTOTHRATHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110028507-A1 PYRIDINE DERIVATIVES AND METHODS OF USE THEREOF CRYSTALGENOMICS, INC. (KR) 2011-02-03 US claimed
CN-101815718-A Pyridine derivate and using method thereof CRYSTALGENOMICS INC 2010-08-25 CN claimed
EP-2188295-A2 PYRIDINE DERIVATIVES AND METHODS OF USE THEREOF Crystalgenomics, Inc. (KR) 2010-05-26 EP claimed
WO-2009037570-A2 PYRIDINE DERIVATIVES AND METHODS OF USE THEREOF CRYSTALGENOMICS, INC. (KR) 2009-03-26 WO claimed
US-20110028507-A1 PYRIDINE DERIVATIVES AND METHODS OF USE THEREOF CRYSTALGENOMICS, INC. (KR) 2011-02-03 US disclosed
CN-101815718-A Pyridine derivate and using method thereof CRYSTALGENOMICS INC 2010-08-25 CN disclosed
EP-2188295-A2 PYRIDINE DERIVATIVES AND METHODS OF USE THEREOF Crystalgenomics, Inc. (KR) 2010-05-26 EP disclosed
WO-2009037570-A2 PYRIDINE DERIVATIVES AND METHODS OF USE THEREOF CRYSTALGENOMICS, INC. (KR) 2009-03-26 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-20110028507-A1 PYRIDINE DERIVATIVES AND METHODS OF USE THEREOF EGLN3, EGLN2, HIF1A EGLN1 5/4885BBOX1 751/4885FTO 1284/4885

“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.