SCHEMBL959684

SCHEMBL959684

NC(OC=O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.44
F2 P00734 1/20 0.44
CYP2D6 P10635 1/20 0.39
KMT2A Q03164 1/20 0.38
SCN4A P35499 2/20 0.36
IDO1 P14902 1/20 0.36
TDO2 P48775 1/20 0.36
GLS O94925 1/20 0.36
HTR2A P28223 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
ADRA2A P08913 1/20 0.35
ADRA2C P18825 1/20 0.35

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
SCHEMBL15181483 1.00 DPP4 (0.44) DPP4F2CYP2D6KMT2ASCN4A
SCHEMBL858 0.81 CYP2D6 (0.42) CYP2D6KMT2AIDO1TDO2HTR2A
Hydrochloric Acid SCHEMBL10708013 0.79 HTT (0.44) CYP2D6KMT2AIDO1TDO2HTR2A
SCHEMBL10257436 0.78 IDO1 (0.48) IDO1TDO2
SCHEMBL27584562 0.77 CFTR (0.44)
SCHEMBL3955535 0.76 CYP2D6 (0.42) DPP4F2CYP2D6KMT2AGLS
Cyclopropane SCHEMBL28325005 0.76 CYP2D6 (0.38) CYP2D6KMT2AIDO1TDO2GLS
SCHEMBL17294114 0.75 ADRA2A (0.44) DPP4F2CYP2D6KMT2ATAAR1
SCHEMBL6686071 0.75 ADRA2A (0.44) DPP4F2CYP2D6KMT2ATAAR1
SCHEMBL5517002 0.74 CYP2D6 (0.41) DPP4F2CYP2D6KMT2AGLS

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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1223959-B1 INHIBITION OF CELL MOTILITY AND ANGIOGENESIS BY INHIBITORS OF THE GRB2 SH2-DOMAIN US GOV HEALTH & HUMAN SERV (US) 2007-05-23 EP claimed
US-7132392-B1 Inhibition of cell motility and angiogenesis by inhibitors of Grb2-SH2-domain THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2006-11-07 US claimed
EP-1223959-A2 INHBITION OF CELL MOTILITY AND ANGIOGENESIS BY INHIBITORS OF THE GRB2 SH2-DOMAIN THE GOVERNMENT OF THE UNITED STATES OF AMERICA, as represented by THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2002-07-24 EP claimed
EP-1163262-A1 PHENYLALANINE DERIVATIVES THE GOVERNMENT OF THE UNITED STATES OF AMERICA as represented by THE SECRETARY of the DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2001-12-19 EP claimed
WO-2001028577-A2 INHIBITION OF CELL MOTILITY AND ANGIOGENESIS BY INHIBITORS OF THE GRB2 SH2-DOMAIN THE GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2001-04-26 WO claimed
WO-2000056760-A1 PHENYLALANINE DERIVATIVES THE UNITED STATES OF AMERICA, REPRESENTED BY SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2000-09-28 WO claimed
US-20200289662-A1 ANTIBODY-ACTIVE AGENT CONJUGATES AND METHODS OF USE LEGOCHEM BIOSCIENCES, INC. (KR) 2020-09-17 US disclosed
US-10583197-B2 Antibody-active agent conjugates and methods of use LEGOCHEM BIOSCIENCES, INC. (KR) 2020-03-10 US disclosed
EP-3610889-A1 PROTEIN-ACTIVE AGENT CONJUGATES AND METHOD FOR PREPARING THE SAME LegoChem Biosciences, Inc. (KR) 2020-02-19 EP disclosed
EP-2707031-B1 PROTEIN-ACTIVE AGENT CONJUGATES AND METHOD FOR PREPARING THE SAME LEGOCHEM BIOSCIENCES INC (KR) 2019-06-26 EP disclosed
US-20180021451-A1 ANTIBODY-ACTIVE AGENT CONJUGATES AND METHODS OF USE LIGACHEM BIOSCIENCES INC. (KR) 2018-01-25 US disclosed
US-9669107-B2 Antibody-active agent conjugates and methods of use LEGOCHEM BIOSCIENCES, INC. (KR) 2017-06-06 US disclosed
US-20170014410-A1 TREATMENT OF PROLIFERATIVE DISORDERS WITH A CHEMILUMINESCENT AGENT SEMOREX TECHNOLOGIES LTD. (IL) 2017-01-19 US disclosed
EP-1223959-B1 INHIBITION OF CELL MOTILITY AND ANGIOGENESIS BY INHIBITORS OF THE GRB2 SH2-DOMAIN US GOV HEALTH & HUMAN SERV (US) 2007-05-23 EP disclosed
US-20070042966-A1 Inhibition of cell motility, angiogenesis, and metastasis Gov't of the USA, represented by the Secretary, Dep't of Health and Human Services (US) 2007-02-22 US disclosed
US-7132392-B1 Inhibition of cell motility and angiogenesis by inhibitors of Grb2-SH2-domain THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2006-11-07 US disclosed
EP-1223959-A2 INHBITION OF CELL MOTILITY AND ANGIOGENESIS BY INHIBITORS OF THE GRB2 SH2-DOMAIN THE GOVERNMENT OF THE UNITED STATES OF AMERICA, as represented by THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2002-07-24 EP disclosed
EP-1163262-A1 PHENYLALANINE DERIVATIVES THE GOVERNMENT OF THE UNITED STATES OF AMERICA as represented by THE SECRETARY of the DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2001-12-19 EP disclosed
WO-2001028577-A2 INHIBITION OF CELL MOTILITY AND ANGIOGENESIS BY INHIBITORS OF THE GRB2 SH2-DOMAIN THE GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2001-04-26 WO disclosed
WO-2000056760-A1 PHENYLALANINE DERIVATIVES THE UNITED STATES OF AMERICA, REPRESENTED BY SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2000-09-28 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 (5 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-20200289662-A1 ANTIBODY-ACTIVE AGENT CONJUGATES AND METHODS OF USE FCGRT, CD47, FNTA DPP4 1627/4885F2 4509/4885CYP2D6 4488/4885
US-10583197-B2 Antibody-active agent conjugates and methods of use FNTA, FCGRT, CD47 DPP4 1645/4885F2 4447/4885CYP2D6 4426/4885
US-20070042966-A1 Inhibition of cell motility, angiogenesis, and metastasis HGF, HDGF, MET DPP4 726/4885F2 2210/4885CYP2D6 4772/4885
US-20170014410-A1 TREATMENT OF PROLIFERATIVE DISORDERS WITH A CHEMILUMINESCENT AGENT CCNY, MKI67, CCNA1 DPP4 4172/4885F2 1237/4885CYP2D6 1838/4885
US-20180021451-A1 ANTIBODY-ACTIVE AGENT CONJUGATES AND METHODS OF USE FCGRT, CD47, FNTA DPP4 1627/4885F2 4509/4885CYP2D6 4488/4885

“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.