SCHEMBL2308485

SCHEMBL2308485

O=C(O)c1ccc(CC(Nc2nc3ccc(Cl)cc3cc2C(=O)O)C(=O)O)cc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 1/20 0.41
ITGA4 P13612 1/20 0.41
PPARG P37231 4/20 0.40
PYGL P06737 1/20 0.39
CA2 P00918 1/20 0.39
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
CNR1 P21554 1/20 0.38
HTT P42858 1/20 0.38
CDK2 P24941 2/20 0.38
POLB P06746 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
NHERF1 O14745 1/20 0.37

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
SCHEMBL2307896 0.94 ITGB1 (0.43) ITGB1ITGA4PPARGPYGLCA2
SCHEMBL2307043 0.93 PYGL (0.40) ITGB1ITGA4PYGLCA2KMT2A
SCHEMBL2308694 0.91 NHERF1 (0.46) ITGB1ITGA4PYGLKMT2AMEN1
SCHEMBL2307101 0.91 NHERF1 (0.46) ITGB1ITGA4PYGLKMT2AMEN1
SCHEMBL2314270 0.91 PYGL (0.47) ITGB1ITGA4PPARGPYGLALDH1A1
SCHEMBL2310490 0.91 PYGL (0.47) ITGB1ITGA4PPARGPYGLALDH1A1
SCHEMBL12386809 0.90 DHODH (0.43) ITGB1ITGA4PPARGPYGLALDH1A1
SCHEMBL2308821 0.90 ITGB1 (0.42) ITGB1ITGA4PPARGPYGLKMT2A
SCHEMBL2309305 0.90 DHODH (0.43) ITGB1ITGA4PPARGPYGLALDH1A1
SCHEMBL2311936 0.90 ITGB1 (0.41) ITGB1ITGA4PPARGPYGLCA2

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-8288549-B2 Glycine B antagonist MERZ PHARMA GMBH & CO. KGAA (DE) 2012-10-16 US claimed
US-20110190342-A1 GLYCINE B ANTAGONIST HENRICH MARKUS 2011-08-04 US claimed
EP-2350014-A1 GLYCINE B ANTAGONISTS Merz Pharma GmbH & Co. KGaA (DE) 2011-08-03 EP claimed
WO-2010037533-A1 GLYCINE B ANTAGONISTS MERZ PHARMA GMBH & CO KGAA (DE) 2010-04-08 WO claimed
US-8288549-B2 Glycine B antagonist MERZ PHARMA GMBH & CO. KGAA (DE) 2012-10-16 US disclosed
US-20110190342-A1 GLYCINE B ANTAGONIST HENRICH MARKUS 2011-08-04 US disclosed
EP-2350014-A1 GLYCINE B ANTAGONISTS Merz Pharma GmbH & Co. KGaA (DE) 2011-08-03 EP disclosed
WO-2010037533-A1 GLYCINE B ANTAGONISTS MERZ PHARMA GMBH & CO KGAA (DE) 2010-04-08 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-20110190342-A1 GLYCINE B ANTAGONIST GRIN2B, GLRB, GRIN2A ITGB1 4760/4885ITGA4 4876/4885PPARG 2759/4885

“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.