SCHEMBL4200797

SCHEMBL4200797

C[C@](N)(CCCNCC=N)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ARG1 P05089 1/20 0.45
ARG2 P78540 1/20 0.45
GGT1 P19440 1/20 0.41
BLM P54132 2/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
USP2 O75604 1/20 0.31
ALDH1A1 P00352 1/20 0.31
EGFR P00533 1/20 0.31
CYP1A2 P05177 1/20 0.31
FYN P06241 1/20 0.31
POLB P06746 1/20 0.31
CYP3A4 P08684 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
APEX1 P27695 1/20 0.31
ADRA1A P35348 1/20 0.31
PTGS2 P35354 1/20 0.31

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
Hydrochloric Acid SCHEMBL8178078 0.98 ARG1 (0.44) ARG1ARG2GGT1BLMKDM4E
SCHEMBL8192140 0.95 ARG1 (0.47) ARG1ARG2GGT1BLMKDM4E
SCHEMBL8821854 0.81 ARG1 (0.42) ARG1ARG2GGT1
SCHEMBL537593 0.78 GGT1 (0.39) ARG1ARG2GGT1BLMKDM4E
SCHEMBL6992677 0.78 GGT1 (0.39) ARG1ARG2GGT1
SCHEMBL2638240 0.78 GGT1 (0.39) ARG1ARG2GGT1BLMKDM4E
SCHEMBL6475315 0.78 GGT1 (0.39) ARG1ARG2GGT1BLMKDM4E
SCHEMBL7067866 0.76 GGT1 (0.31) GGT1
SCHEMBL7617170 0.76 NOS1 (0.47) GGT1
SCHEMBL6472209 0.76 GGT1 (0.31) GGT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0751930-B1 AMIDINO DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS SEARLE & CO (US) 2000-01-05 EP claimed
EP-0751930-A1 AMIDINO DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS G.D. SEARLE & CO. (US) 1997-01-08 EP claimed
WO-1995025717-A1 AMIDINO DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS G.D. SEARLE & CO. (US) 1995-09-28 WO claimed
US-7862807-B2 Dendrimers as molecular translocators UNIVERSITY OF CALIFORNIA, SAN DIEGO (US) 2011-01-04 US disclosed
US-20090311249-A1 Capecitabine Combination Therapy ARIAD PHARMACEUTICALS, INC. 2009-12-17 US disclosed
EP-2032168-A1 CAPECITABINE COMBINATION THERAPY ARIAD GENE THERAPEUTICS, INC. (US) 2009-03-11 EP disclosed
WO-2007143212-A1 CAPECITABINE COMBINATION THERAPY ARIAD GENE THERAPEUTICS, INC. (US) 2007-12-13 WO disclosed
EP-1545462-A4 DENDRIMERS AS MOLECULAR TRANSLOCATORS UNIV CALIFORNIA (US) 2007-08-08 EP disclosed
US-20060216265-A1 Dendrimers as molecular translocators THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2006-09-28 US disclosed
EP-1545462-A2 DENDRIMERS AS MOLECULAR TRANSLOCATORS The Regents of the University of California (US) 2005-06-29 EP disclosed
US-6710086-B1 CHEMICALLY MODIFIED PHARMACOLOGICALLY ACTIVE AGENT IN CARRIER; REDUCE THE DAMAGE TO THE GASTROINTESTINAL TRACT MEDINOX, INC. 2004-03-23 US disclosed
EP-0751930-B1 AMIDINO DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS SEARLE & CO (US) 2000-01-05 EP disclosed
WO-1999040907-A1 METHODS FOR THE CONTROLLED DELIVERY OF CARBON DISULFIDE FOR THE TREATMENT OF INFLAMMATORY CONDITIONS MEDINOX, INC. (US) 1999-08-19 WO disclosed
WO-1999040787-A1 MODIFIED PHARMACOLOGICALLY ACTIVE AGENTS AND IMPROVED THERAPEUTIC METHODS EMPLOYING SAME MEDINOX, INC. (US) 1999-08-19 WO disclosed
US-5916910-A Conjugates of dithiocarbamates with pharmacologically active agents and uses therefore MEDINOX, INC. (US) 1999-06-29 US disclosed
WO-1998055453-A1 CONJUGATES OF DITHIOCARBAMATES WITH PHARMACOLOGICALLY ACTIVE AGENTS AND USES THEREFOR MEDINOX, INC. (US) 1998-12-10 WO disclosed
EP-0866695-A1 COMBINATIONAL THERAPEUTIC METHODS EMPLOYING NITRIC OXIDE SCAVENGERS Medinox, Inc. (US) 1998-09-30 EP disclosed
WO-1997018805-A1 COMBINATIONAL THERAPEUTIC METHODS EMPLOYING NITRIC OXIDE SCAVENGERS MEDINOX, INC. (US) 1997-05-29 WO disclosed
EP-0751930-A1 AMIDINO DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS G.D. SEARLE & CO. (US) 1997-01-08 EP disclosed
WO-1995025717-A1 AMIDINO DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS G.D. SEARLE & CO. (US) 1995-09-28 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 (2 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-20090311249-A1 Capecitabine Combination Therapy RICTOR, MTOR, EIF4E ARG1 3126/4885ARG2 2940/4885GGT1 2444/4885
US-20060216265-A1 Dendrimers as molecular translocators SLC29A1, SLC29A2, TSPO ARG1 696/4885ARG2 237/4885GGT1 784/4885

“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.