SCHEMBL1269306

SCHEMBL1269306

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 20/20 1.00
BBOX1 O75936 1/20 0.53
FTO Q9C0B1 1/20 0.53
EGLN2 Q96KS0 3/20 0.45
THRA P10827 1/20 0.42
THRB P10828 1/20 0.42

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 0.84 EGLN1 (1.00) EGLN1BBOX1FTOTHRATHRB
SCHEMBL1270342 0.84 EGLN1 (1.00) EGLN1BBOX1FTOTHRATHRB
SCHEMBL1270465 0.84 EGLN1 (0.78) EGLN1BBOX1FTOEGLN2THRA
SCHEMBL1656947 0.81 EGLN1 (0.67) EGLN1BBOX1FTOEGLN2
SCHEMBL1269046 0.78 EGLN1 (1.00) EGLN1BBOX1FTOEGLN2
SCHEMBL1657022 0.77 EGLN1 (0.63) EGLN1BBOX1FTOEGLN2
SCHEMBL2881416 0.77 EGLN1 (0.62) EGLN1BBOX1FTOEGLN2
SCHEMBL965014 0.77 EGLN1 (0.62) EGLN1BBOX1FTOEGLN2
SCHEMBL30274451 0.77 EGLN1 (0.62) EGLN1BBOX1FTOEGLN2
SCHEMBL1656054 0.76 EGLN1 (0.62) EGLN1BBOX1FTOEGLN2

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.