SCHEMBL2306572

SCHEMBL2306572

Cc1cccnc1Oc1ccc(CC(N)C(=O)O)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.48
ITGA2B P08514 1/20 0.48
SLC7A5 Q01650 3/20 0.48
PTGS1 P23219 2/20 0.48
ALPI P09923 1/20 0.48
PKM P14618 1/20 0.48
XIAP P98170 1/20 0.48
PTPN1 P18031 1/20 0.46
P2RX3 P56373 1/20 0.44
THRA P10827 2/20 0.44
THRB P10828 2/20 0.44
TPH1 P17752 3/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
HSD17B10 Q99714 2/20 0.43
PCNA P12004 1/20 0.43
KDM4E B2RXH2 1/20 0.43
USP2 O75604 1/20 0.43
EGFR P00533 1/20 0.43
LCK P06239 1/20 0.43

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
SCHEMBL2306563 1.00 ITGB3 (0.48) ITGB3ITGA2BSLC7A5PTGS1ALPI
SCHEMBL2310144 0.85 ITGB3 (0.48) ITGB3ITGA2BSLC7A5PTGS1ALPI
SCHEMBL2310489 0.85 ITGB3 (0.48) ITGB3ITGA2BSLC7A5PTGS1ALPI
SCHEMBL2310496 0.85 ITGB3 (0.48) ITGB3ITGA2BSLC7A5PTGS1ALPI
SCHEMBL2310136 0.85 ITGB3 (0.48) ITGB3ITGA2BSLC7A5PTGS1ALPI
SCHEMBL6478885 0.83 KMT2A (0.48) P2RX3ALDH1A1GAAPCNAKMT2A
SCHEMBL6478876 0.83 KMT2A (0.48) P2RX3ALDH1A1GAAPCNAKMT2A
SCHEMBL2306496 0.82 PTPN1 (0.52) ITGB3ITGA2BSLC7A5PTGS1ALPI
SCHEMBL2306490 0.82 PTPN1 (0.52) ITGB3ITGA2BSLC7A5PTGS1ALPI
SCHEMBL26177275 0.80 GAA (0.50) ALDH1A1GAATDP1KMT2AMEN1

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 4 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 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 ITGB3 4771/4885ITGA2B 4271/4885SLC7A5 159/4885

“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.