SCHEMBL7360179

SCHEMBL7360179

N[C@@H](Cc1ccc(OC(C(=O)O)C(=O)O)cc1)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 3/20 0.61
PTGS1 P23219 3/20 0.59
ALPI P09923 1/20 0.59
PKM P14618 1/20 0.59
XIAP P98170 1/20 0.59
PTPN1 P18031 2/20 0.59
ITGB3 P05106 1/20 0.57
ITGA2B P08514 1/20 0.57
LDHA P00338 1/20 0.53
ALOX15 P16050 3/20 0.51
HIF1A Q16665 3/20 0.51
KDM4E B2RXH2 2/20 0.51
TDP1 Q9NUW8 2/20 0.51
USP2 O75604 1/20 0.51
EGFR P00533 1/20 0.51
LCK P06239 1/20 0.51
FYN P06241 1/20 0.51
ADORA3 P0DMS8 1/20 0.51
HTR2A P28223 1/20 0.51
PTGS2 P35354 1/20 0.51

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
SCHEMBL7360168 1.00 SLC7A5 (0.61) SLC7A5PTGS1ALPIPKMXIAP
Aspartic Acid SCHEMBL7363750 0.92 SLC7A5 (0.53) SLC7A5PTGS1ALPIPKMXIAP
Aspartic Acid SCHEMBL7363742 0.92 SLC7A5 (0.53) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL19759402 0.85 POLB (0.60) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL14406929 0.85 PTPN1 (0.61) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL2803084 0.85 POLB (0.60) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL13620420 0.85 PTPN1 (0.61) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL31688893 0.83 SLC7A5 (0.57) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL31688665 0.83 SLC7A5 (0.57) SLC7A5PTGS1ALPIPKMXIAP
Hydrochloric Acid SCHEMBL4369720 0.83 PTPN1 (0.60) 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-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
US-6307090-B1 OXALYL ENDCAPPED; CONTAINING A BIVALENT RADICAL OF PHOSPHOTYROSINE OR A PHOSPHOTYROSINE MIMETIC THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES 2001-10-23 US disclosed
EP-0846127-A1 ACYLATED OLIGOPEPTIDE DERIVATIVES HAVING CELL SIGNAL INHIBITING ACTIVITY Novartis AG (CH) 1998-06-10 EP disclosed
WO-1997008193-A1 ACYLATED OLIGOPEPTIDE DERIVATIVES HAVING CELL SIGNAL INHIBITING ACTIVITY NOVARTIS AG (CH) 1997-03-06 WO disclosed
WO-1997007131-A1 ACYLATED OLIGOPEPTIDES CONTAINING PHOSPHOTYROSINE AS INHIBITORS OF PROTEIN TYROSINE KINASES NOVARTIS AG (CH) 1997-02-27 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 (3 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

“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.