SCHEMBL4359558

SCHEMBL4359558

Nc1c(C(=O)O)ncn1[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATIC P31939 3/20 0.84
FBP1 P09467 2/20 0.84
DNPH1 O43598 4/20 0.61
TAS1R3 Q7RTX0 3/20 0.61
TAS1R1 Q7RTX1 3/20 0.61
P2RY1 P47900 2/20 0.61
PRKAB2 O43741 1/20 0.61
TRPM2 O94759 1/20 0.61
LDHA P00338 1/20 0.61
ADRB2 P07550 1/20 0.61
SRC P12931 1/20 0.61
ADORA1 P30542 1/20 0.61
P2RY2 P41231 1/20 0.61
PRKAG1 P54619 1/20 0.61
PRKAA2 P54646 1/20 0.61
PDE4D Q08499 1/20 0.61
KCNH2 Q12809 1/20 0.61
PRKAA1 Q13131 1/20 0.61
PDE3A Q14432 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61

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
SCHEMBL4366531 1.00 ATIC (0.84) ATICFBP1DNPH1TAS1R3TAS1R1
SCHEMBL850149 1.00 ATIC (0.84) ATICFBP1DNPH1TAS1R3TAS1R1
SCHEMBL29602059 1.00 ATIC (0.84) ATICFBP1DNPH1TAS1R3TAS1R1
SCHEMBL4366540 1.00 ATIC (0.84) ATICFBP1DNPH1TAS1R3TAS1R1
SCHEMBL20276955 0.91 ATIC (1.00) ATICFBP1DNPH1TAS1R3TAS1R1
SCHEMBL4359472 0.91 ATIC (1.00) ATICFBP1DNPH1TAS1R3TAS1R1
SCHEMBL1230585 0.91 ATIC (1.00) ATICFBP1DNPH1TAS1R3TAS1R1
SCHEMBL849848 0.91 ATIC (1.00) ATICFBP1DNPH1TAS1R3TAS1R1
SCHEMBL20134003 0.91 ATIC (1.00) ATICFBP1DNPH1TAS1R3TAS1R1
SCHEMBL1230589 0.91 ATIC (1.00) ATICFBP1DNPH1TAS1R3TAS1R1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250037787-A1 CONCENTRATION BOUNDS IN LARGE NETWORKS MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2025-01-30 US disclosed
US-11766412-B2 Methods of treating or alleviating adenylosuccinatelyase (ADSL) deficiency using spermidine or a pharmaceutically acceptable salt of spermidine GENEHEAL BIOTECHNOLOGY CO., LTD. (CN) 2023-09-26 US disclosed
US-11766412-B2 Methods of treating or alleviating adenylosuccinatelyase (ADSL) deficiency using spermidine or a pharmaceutically acceptable salt of spermidine GENEHEAL BIOTECHNOLOGY CO., LTD. (CN) 2023-09-26 US disclosed
US-11684593-B2 Applications of spermine and its derivative in preparation of antitumor drug GENEHEAL BIOTECHNOLOGY CO., LTD. (CN) 2023-06-27 US disclosed
US-11684593-B2 Applications of spermine and its derivative in preparation of antitumor drug GENEHEAL BIOTECHNOLOGY CO., LTD. (CN) 2023-06-27 US disclosed
EP-3976799-A2 MULTIPLY AUXOTROPHIC CELL LINE FOR THE PRODUCTION OF RECOMBINANT PROTEINS AND METHODS THEREOF THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2022-04-06 EP disclosed
US-20220089775-A1 MULTIPLY AUXOTROPHIC CELL LINE FOR THE PRODUCTION OF RECOMBINANT PROTEINS AND METHODS THEREOF UNIV COLUMBIA (US) 2022-03-24 US disclosed
EP-3562825-B1 OXAZOLE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER LIFEARC (GB) 2022-02-16 EP disclosed
EP-3562824-B1 OXAZOLE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER LIFEARC (GB) 2022-01-26 EP disclosed
US-20210008012-A1 NOVEL APPLICATIONS OF DISULFIRAM AND DERIVATIVES THEREOF GENEHEAL BIOTECHNOLOGY CO., LTD. (CN) 2021-01-14 US disclosed
US-20120231972-A1 Probe Compound for Detecting and Isolating Enzymes and Means and Methods Using the Same INSTITUTE OF CATALYSIS (CSIC) (ES) 2012-09-13 US disclosed
WO-2010105851-A1 PROBE COMPOUND FOR DETECTING AND ISOLATING ENZYMES AND MEANS AND METHODS USING THE SAME Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2010-09-23 WO disclosed
US-20090186358-A1 Pathway Analysis of Cell Culture Phenotypes and Uses Thereof WYETH (US) 2009-07-23 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 (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-20210008012-A1 NOVEL APPLICATIONS OF DISULFIRAM AND DERIVATIVES THEREOF ADSL, ADSS2, ACACB ATIC 471/4885FBP1 520/4885DNPH1 2838/4885
US-20120231972-A1 Probe Compound for Detecting and Isolating Enzymes and Means and Methods Using the Same SI, GUSB, MPI ATIC 835/4885FBP1 689/4885DNPH1 11/4885
US-11766412-B2 Methods of treating or alleviating adenylosuccinatelyase (ADSL) deficiency using spermidine or a pharmaceutically acceptable salt of spermidine ADSL, ADSS2, SRM ATIC 146/4885FBP1 316/4885DNPH1 1661/4885
US-11684593-B2 Applications of spermine and its derivative in preparation of antitumor drug SRM, SMS, SMOX ATIC 290/4885FBP1 284/4885DNPH1 1316/4885

“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.