SCHEMBL2464010

SCHEMBL2464010

NC(Cc1ccc(OC(=O)C(N)CSSCC(N)C(=O)Oc2ccc(CC(N)C(=O)O)cc2)cc1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 4/20 0.53
PTPN1 P18031 2/20 0.52
PTGS1 P23219 3/20 0.51
ALPI P09923 1/20 0.51
PKM P14618 1/20 0.51
XIAP P98170 1/20 0.51
ITGB3 P05106 1/20 0.51
ITGA2B P08514 1/20 0.51
TPH1 P17752 2/20 0.46
GRB2 P62993 1/20 0.46
ALOX15 P16050 3/20 0.45
HIF1A Q16665 3/20 0.45
KDM4E B2RXH2 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
USP2 O75604 1/20 0.45
EGFR P00533 1/20 0.45
LCK P06239 1/20 0.45
FYN P06241 1/20 0.45
ADORA3 P0DMS8 1/20 0.45
HTR2A P28223 1/20 0.45

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
SCHEMBL17207354 0.93 PTPN1 (0.47) SLC7A5PTPN1PTGS1ALPIPKM
SCHEMBL1679320 0.88 SLC7A5 (0.56) SLC7A5PTPN1PTGS1ALPIPKM
SCHEMBL12308085 0.87 PTPN1 (0.49) SLC7A5PTPN1PTGS1ALPIPKM
Phenylalanine SCHEMBL5608077 0.85 SLC7A5 (0.69) SLC7A5PTPN1PTGS1ALPIPKM
SCHEMBL1003560 0.85 SLC7A5 (0.69) SLC7A5PTPN1PTGS1ALPIPKM
Phenylalanine SCHEMBL5699042 0.85 SLC7A5 (0.69) SLC7A5PTPN1PTGS1ALPIPKM
SCHEMBL1456074 0.84 SLC7A5 (0.54) SLC7A5PTPN1PTGS1ALPIPKM
SCHEMBL60228 0.84 SLC7A5 (0.73) SLC7A5PTPN1PTGS1ALPIPKM
SCHEMBL11676390 0.84 SLC7A5 (0.73) SLC7A5PTPN1PTGS1ALPIPKM
SCHEMBL11370023 0.84 SLC7A5 (0.73) SLC7A5PTPN1PTGS1ALPIPKM

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
EP-2937334-A1 PROPIONIC ACIDS, PROPIONIC ACID ESTERS, AND RELATED COMPOUNDS Promentis Pharmaceuticals, Inc. (US) 2015-10-28 EP disclosed
EP-2937334-A1 PROPIONIC ACIDS, PROPIONIC ACID ESTERS, AND RELATED COMPOUNDS Promentis Pharmaceuticals, Inc. (US) 2015-10-28 EP disclosed
US-8815905-B2 Propionic acids, propionic acid esters, and related compounds PROMENTIS PHARMACEUTICALS, INC. (US) 2014-08-26 US disclosed
US-8815905-B2 Propionic acids, propionic acid esters, and related compounds PROMENTIS PHARMACEUTICALS, INC. (US) 2014-08-26 US disclosed
US-8815905-B2 Propionic acids, propionic acid esters, and related compounds PROMENTIS PHARMACEUTICALS, INC. (US) 2014-08-26 US disclosed
US-20110224156-A1 Propionic Acids, Propionic Acid Esters, and Related Compounds ALBANY MOLECULAR RESEARCH, INC. 2011-09-15 US disclosed
US-20110224156-A1 Propionic Acids, Propionic Acid Esters, and Related Compounds ALBANY MOLECULAR RESEARCH, INC. 2011-09-15 US disclosed
US-20110224156-A1 Propionic Acids, Propionic Acid Esters, and Related Compounds ALBANY MOLECULAR RESEARCH, INC. 2011-09-15 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 (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-20110224156-A1 Propionic Acids, Propionic Acid Esters, and Related Compounds PCCA, PC, PMP22 SLC7A5 1430/4885PTPN1 3250/4885PTGS1 1094/4885

“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.