SCHEMBL1269035

SCHEMBL1269035

O=C(O)CNC(=O)c1nc(Cl)c2c(sc3ccc(S(=O)(=O)Cc4ccccc4)cc32)c1O

nearest known ligand 0.68

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 18/20 0.68
BBOX1 O75936 1/20 0.47
FTO Q9C0B1 1/20 0.47
THRA P10827 1/20 0.43
THRB P10828 1/20 0.43
CYP2D6 P10635 1/20 0.39
TP53 P04637 1/20 0.38
MAPT P10636 1/20 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
SCHEMBL1268889 0.89 EGLN1 (0.67) EGLN1BBOX1FTOTHRATHRB
SCHEMBL1270343 0.88 EGLN1 (0.71) EGLN1BBOX1FTOTHRATHRB
SCHEMBL1269657 0.83 EGLN1 (0.69) EGLN1BBOX1FTOTHRATHRB
SCHEMBL1270027 0.83 EGLN1 (0.71) EGLN1BBOX1FTOTHRATHRB
SCHEMBL1269880 0.82 EGLN1 (0.76) EGLN1BBOX1FTOTHRATHRB
SCHEMBL1269131 0.81 EGLN1 (1.00) EGLN1BBOX1FTOTHRATHRB
SCHEMBL1268960 0.81 EGLN1 (0.71) EGLN1BBOX1FTOTHRATHRB
SCHEMBL1269387 0.81 CYP2D6 (0.42) EGLN1CYP2D6TP53MAPT
SCHEMBL1270012 0.80 EGLN1 (0.73) EGLN1BBOX1FTOTHRATHRB
SCHEMBL1270239 0.80 EGLN1 (0.73) 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 6 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
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
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.