SCHEMBL2312170

SCHEMBL2312170

O=C(O)c1cc2cc(Cl)ccc2nc1NC(Cc1c[nH]c2ccc(F)cc12)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 3/20 0.47
ICAM1 P05362 3/20 0.47
ITGAL P20701 3/20 0.47
TSHR P16473 1/20 0.42
ADAM17 P78536 1/20 0.41
MAPT P10636 2/20 0.41
PKM P14618 1/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
F7 P08709 1/20 0.40
F3 P13726 1/20 0.40
CCKBR P32239 1/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPK1 P28482 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PPARG P37231 1/20 0.39

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
SCHEMBL2311993 0.93 ITGB2 (0.47) ITGB2ICAM1ITGALADAM17MAPT
SCHEMBL2310201 0.90 ITGB2 (0.44) ITGB2ICAM1ITGALADAM17MAPT
SCHEMBL2312723 0.88 ITGB2 (0.58) ITGB2ICAM1ITGALMAPTPKM
SCHEMBL2309213 0.88 ITGB2 (0.58) ITGB2ICAM1ITGALMAPTPKM
SCHEMBL2307550 0.87 MMP2 (0.46) ITGB2ICAM1ITGALADAM17HPGD
Acetic Acid SCHEMBL2312584 0.86 MMP2 (0.45) ITGB2ICAM1ITGALADAM17HPGD
SCHEMBL2306574 0.85 ITGB2 (0.46) ITGB2ICAM1ITGALTSHRADAM17
SCHEMBL2309305 0.81 DHODH (0.43) KMT2AMEN1ALDH1A1PPARG
SCHEMBL2312353 0.80 PPARG (0.42) ITGB2ICAM1ITGALKMT2AMEN1
SCHEMBL2312599 0.79 MMP2 (0.43) ITGB2ICAM1ITGALADAM17HPGD

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 7 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
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 ITGB2 4562/4885ICAM1 4431/4885ITGAL 4617/4885

“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.