SCHEMBL2314258

SCHEMBL2314258

NC(Cc1cccc(CC(N)C(=O)O)c1)C(=O)O

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 9/20 0.77
PTGS1 P23219 2/20 0.77
ALPI P09923 1/20 0.77
PKM P14618 1/20 0.77
XIAP P98170 1/20 0.77
GRIA2 P42262 1/20 0.70
NOS3 P29474 3/20 0.68
NOS1 P29475 3/20 0.68
NOS2 P35228 3/20 0.68
KDM4E B2RXH2 1/20 0.65
USP2 O75604 1/20 0.65
EGFR P00533 1/20 0.65
LCK P06239 1/20 0.65
FYN P06241 1/20 0.65
ADORA3 P0DMS8 1/20 0.65
ALOX15 P16050 1/20 0.65
HTR2A P28223 1/20 0.65
PTGS2 P35354 1/20 0.65
RECQL P46063 1/20 0.65
HIF1A Q16665 1/20 0.65

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
SCHEMBL6371428 0.93 SLC7A5 (0.67) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL1512890 0.93 SLC7A5 (0.67) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL29091834 0.93 SLC7A5 (0.67) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL31369893 0.93 SLC7A5 (0.67) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL1512888 0.93 SLC7A5 (0.67) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL29351918 0.93 SLC7A5 (0.67) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL485683 0.93 SLC7A5 (0.67) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL485684 0.93 SLC7A5 (0.67) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL25354901 0.91 SLC7A5 (0.70) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL22689794 0.91 SLC7A5 (0.65) SLC7A5PTGS1ALPIPKMXIAP

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10000555-B2 Monomethylvaline compounds having phenylalanine side-chain modification at the C-terminus SEATTLE GENETICS, INC. (US) 2018-06-19 US disclosed
US-20130123465-A1 MONOMETHYLVALINE COMPOUNDS HAVING PHENYLALANINE SIDE-CHAIN MODIFICATIONS AT THE C-TERMINUS SEATTLE GENETICS, INC. (US) 2013-05-16 US disclosed
US-8343928-B2 Monomethylvaline compounds having phenylalanine side-chain replacements at the C-terminus SEATTLE GENETICS, INC. (US) 2013-01-01 US disclosed
US-8343928-B2 Monomethylvaline compounds having phenylalanine side-chain replacements at the C-terminus SEATTLE GENETICS, INC. (US) 2013-01-01 US disclosed
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
US-20090018086-A1 Monomethylvaline Compounds Having Phenylalanine Side-Chain Replacements at the C-Terminus SEATTLE GENETICS, INC. (US) 2009-01-15 US disclosed
US-20090018086-A1 Monomethylvaline Compounds Having Phenylalanine Side-Chain Replacements at the C-Terminus SEATTLE GENETICS, INC. (US) 2009-01-15 US 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 (4 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-20130123465-A1 MONOMETHYLVALINE COMPOUNDS HAVING PHENYLALANINE SIDE-CHAIN MODIFICATIONS AT THE C-TERMINUS MMAB, PTMS, DNPEP SLC7A5 50/4885PTGS1 4600/4885ALPI 4058/4885
US-20090018086-A1 Monomethylvaline Compounds Having Phenylalanine Side-Chain Replacements at the C-Terminus MMAB, DNPEP, MARCKS SLC7A5 39/4885PTGS1 4602/4885ALPI 4126/4885
US-10000555-B2 Monomethylvaline compounds having phenylalanine side-chain modification at the C-terminus PTMS, MMAB, DNPEP SLC7A5 54/4885PTGS1 4577/4885ALPI 4046/4885
US-20110190342-A1 GLYCINE B ANTAGONIST GRIN2B, GLRB, GRIN2A SLC7A5 159/4885PTGS1 893/4885ALPI 4486/4885

“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.