SCHEMBL2311980

SCHEMBL2311980

O=C(O)c1cc2cc(Cl)ccc2nc1NC(Cc1ccc(C#Cc2ccccc2)cc1)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.42
MMP9 P14780 1/20 0.42
PYGL P06737 1/20 0.40
PPARG P37231 4/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ITGB1 P05556 1/20 0.39
ITGA4 P13612 1/20 0.39
HDAC8 Q9BY41 1/20 0.38
ACACB O00763 1/20 0.37
GPR34 Q9UPC5 1/20 0.37
ALDH1A1 P00352 1/20 0.37
SHMT1 P34896 1/20 0.36
CDK2 P24941 1/20 0.36
ERAP1 Q9NZ08 1/20 0.36

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
SCHEMBL2309857 0.94 PYGL (0.41) MMP2MMP9PYGLMEN1KMT2A
SCHEMBL2314270 0.91 PYGL (0.47) MMP2PYGLPPARGMEN1KMT2A
SCHEMBL2310490 0.91 PYGL (0.47) MMP2PYGLPPARGMEN1KMT2A
SCHEMBL2307896 0.90 ITGB1 (0.43) PYGLPPARGMEN1KMT2AITGB1
SCHEMBL2307101 0.87 NHERF1 (0.46) PYGLMEN1KMT2AITGB1ITGA4
SCHEMBL2308485 0.87 ITGB1 (0.41) PYGLPPARGMEN1KMT2AITGB1
SCHEMBL2308694 0.87 NHERF1 (0.46) PYGLMEN1KMT2AITGB1ITGA4
SCHEMBL12386809 0.86 DHODH (0.43) PYGLPPARGMEN1KMT2AITGB1
SCHEMBL2308821 0.86 ITGB1 (0.42) PYGLPPARGMEN1KMT2AITGB1
SCHEMBL2309305 0.86 DHODH (0.43) PYGLPPARGMEN1KMT2AITGB1

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 MMP2 4846/4885MMP9 4781/4885PYGL 2004/4885

“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.