SCHEMBL2423462

SCHEMBL2423462

CCOP(=O)(OCC)C(F)(F)c1ccc(C[C@H](N)C(=O)O)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.67
GRB2 P62993 1/20 0.57
SLC7A5 Q01650 3/20 0.49
PTGS1 P23219 3/20 0.49
ALPI P09923 1/20 0.49
PKM P14618 1/20 0.49
XIAP P98170 1/20 0.49
PTPRC P08575 1/20 0.48
KIF11 P52732 2/20 0.41
TPH1 P17752 4/20 0.41
ALOX15 P16050 3/20 0.40
HIF1A Q16665 3/20 0.40
KDM4E B2RXH2 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
USP2 O75604 1/20 0.40
EGFR P00533 1/20 0.40
LCK P06239 1/20 0.40
FYN P06241 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
HTR2A P28223 1/20 0.40

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
SCHEMBL7876107 1.00 PTPN1 (0.67) PTPN1GRB2SLC7A5PTGS1ALPI
SCHEMBL26076516 0.88 PTPN1 (0.57) PTPN1GRB2SLC7A5PTGS1ALPI
SCHEMBL14450441 0.86 PTPN1 (0.50) PTPN1GRB2KDM4EALDH1A1LMNA
SCHEMBL14450445 0.86 PTPN1 (0.48) PTPN1GRB2SMN1; SMN2
SCHEMBL7244978 0.83 PTPN1 (0.46) PTPN1ITGB3ITGA2BALDH1A1SMN1; SMN2
SCHEMBL7244973 0.83 PTPN1 (0.46) PTPN1ITGB3ITGA2BALDH1A1SMN1; SMN2
SCHEMBL14450417 0.81 PTPN1 (0.47) PTPN1GRB2SLC7A5PTGS1ALPI
SCHEMBL14450450 0.81 PTPN1 (0.45) PTPN1
Phosphonodifluoromethyl Phenylalanine SCHEMBL9545904 0.81 PTPN1 (1.00) PTPN1GRB2SLC7A5PTGS1ALPI
Phosphonodifluoromethyl Phenylalanine SCHEMBL2517439 0.81 PTPN1 (1.00) PTPN1GRB2SLC7A5PTGS1ALPI

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230303625-A1 CYCLIC POLYPEPTIDES FOR PCSK9 INHIBITION RA PHARMACEUTICALS, INC. (US) 2023-09-28 US disclosed
US-11530244-B2 Cyclic polypeptides for PCSK9 inhibition MERCK SHARP & DOHME LLC (US) 2022-12-20 US disclosed
US-20210284694-A1 CYCLIC POLYPEPTIDES FOR PCSK9 INHIBITION MERCK SHARP & DOHME LLC 2021-09-16 US disclosed
US-9399653-B2 Methods and systems for preparing irreversible inhibitors of protein tyrosine phosphatases THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) 2016-07-26 US disclosed
US-20130165333-A1 Methods and Systems for Preparing Irreversible Inhibitors of Protein Tyrosine Phosphatases THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) 2013-06-27 US disclosed
WO-2011106898-A1 METHODS AND SYSTEMS FOR PREPARING IRREVERSIBLE INHIBITORS OF PROTEIN TYROSINE PHOSPHATASES THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) 2011-09-09 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 (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-20210284694-A1 CYCLIC POLYPEPTIDES FOR PCSK9 INHIBITION PCSK9, LDLR, PCSK7 PTPN1 682/4885GRB2 1230/4885SLC7A5 3660/4885
US-20230303625-A1 CYCLIC POLYPEPTIDES FOR PCSK9 INHIBITION PCSK9, LDLR, PCSK7 PTPN1 682/4885GRB2 1230/4885SLC7A5 3660/4885
US-11530244-B2 Cyclic polypeptides for PCSK9 inhibition PCSK9, LDLR, PCSK7 PTPN1 682/4885GRB2 1230/4885SLC7A5 3660/4885
US-20130165333-A1 Methods and Systems for Preparing Irreversible Inhibitors of Protein Tyrosine Phosphatases SRMS, PTMS, PPM1A PTPN1 102/4885GRB2 286/4885SLC7A5 1134/4885

“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.