SCHEMBL1857100

SCHEMBL1857100

Cc1cn([C@H]2C[C@H](O)[C@@H](C(OP(=O)(O)O)c3ccc([N+](=O)[O-])cc3)O2)c(=O)[nH]c1=O

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TYMS P04818 2/20 0.53
TK1 P04183 7/20 0.49
POLB P06746 1/20 0.47

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
SCHEMBL820020 0.86 TYMS (0.51) TYMSTK1POLB
SCHEMBL6386144 0.85 TK1 (0.48) TYMSTK1POLB
SCHEMBL7038113 0.80 TK1 (0.49) TYMSTK1
SCHEMBL25752637 0.79 TK1 (0.60) TYMSTK1POLB
SCHEMBL25756099 0.79 TK1 (0.60) TYMSTK1POLB
SCHEMBL7201324 0.79 TK1 (0.60) TYMSTK1POLB
SCHEMBL25700727 0.79 TK1 (0.60) TYMSTK1POLB
SCHEMBL6661323 0.79 TK1 (0.51) TK1POLB
Doxribtimine SCHEMBL20797965 0.77 TYMS (0.63) TYMSTK1POLB
Thymidine Monophosphate SCHEMBL20797966 0.77 TYMS (0.75) TYMSTK1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023242631-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE-1 INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME LEGOCHEM BIOSCIENCES, INC. (KR) 2023-12-21 WO disclosed
US-20210401950-A1 COMPOSITIONS FOR TREATING PATHOLOGICAL CALCIFICATION CONDITIONS, AND METHODS USING SAME UNIV YALE (US) 2021-12-30 US disclosed
US-11123408-B2 Compositions and methods for treating nonsteroidal anti-inflammatory drug (NSAID) associated coagulopathy, thrombocytopenia, glanzmann's thrombasthenia, and/or thrombosis YALE UNIVERSITY (US) 2021-09-21 US disclosed
US-20190167768-A1 COMPOSITIONS AND METHODS FOR TREATING NONSTEROIDAL ANTI-INFLAMMATORY DRUG (NSAID) ASSOCIATED COAGULOPATHY, THROMBOCYTOPENIA, GLANZMANN'S THROMBASTHENIA, AND/OR THROMBOSIS UNIV YALE (US) 2019-06-06 US disclosed
US-10258671-B2 Compositions and methods for treating platelet storage pool deficiency, gray platelet syndrome and quebec platelet disorder YALE UNIVERSITY (US) 2019-04-16 US disclosed
US-20180169192-A1 Compositions and Methods for Modulating Coagulation UNIV YALE (US) 2018-06-21 US disclosed
US-9867870-B2 Compositions and methods for treating hemophilia YALE UNIVERSITY (US) 2018-01-16 US disclosed
US-20170274054-A1 Compositions and Methods for Modulating Coagulation UNIV YALE (US) 2017-09-28 US disclosed
US-9642896-B1 Compositions and methods for modulating coagulation YALE UNIVERSITY (US) 2017-05-09 US disclosed
US-20110110886-A1 SMALL MOLECULE INHIBITORS OF AUTOTAXIN AND METHODS OF USE YALE UNIVERSITY 2011-05-12 US disclosed
EP-1664081-A2 NOVEL PROTEINS AND NUCLEIC ACIDS ENCODING SAME Curagen Corporation (US) 2006-06-07 EP disclosed
EP-1448991-A2 ACTIVATED ENZYME-LINKED DETECTION SYSTEMS FOR DETECTING AND QUANTIFYING NUCLEID ACIDS, ANTIGENS, ANTIBODIES AND OTHER ANALYTES FRAUNHOFER-GESELLSCHAFT ZUR FÖRDERUNG DER ANGEWANDTEN FORSCHUNG E.V. (DE) 2004-08-25 EP disclosed
WO-2004048512-A2 NOVEL PROTEINS AND NUCLEIC ACIDS ENCODING SAME CURAGEN CORPORATION (US) 2004-06-10 WO disclosed
US-20030153730-A1 Autotaxin: motility stimulating protein useful in cancer diagnosis and therapy STRACKE MARY (US) 2003-08-14 US disclosed
WO-2002082078-A2 ACTIVATED ENZYME-LINKED DETECTION SYSTEMS FOR DETECTING AND QUANTIFYING NUCLEID ACIDS, ANTIGENS ANTIBODIES AND OTHER ANALYTES FRAUNHOFER-GESELLSCHAFT ZUR FOERDERUNG DER ANGEWANDTEN FORSCHUNG E.V. (DE) 2002-10-17 WO disclosed
US-6417338-B1 ACCUMULATION, CONCENTRATION OF POLYPEPTIDE THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES 2002-07-09 US disclosed
US-6084069-A AMINO ACID SEQUENCES; FOR ANTITUMOR/ANTICARCINOGENIC AGENTS; ANTIMETASTASIS/ANTIINFLAMMATORY/ANTIFIBROTIC AGENTS; TREATMENT OF INFECTIONS AND HEALING DISORDERS; DIAGNOSIS OF RELATED DISORDERS THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2000-07-04 US disclosed
US-5731167-A DNA SEGMENT CODING FOR A POLYPEPTIDE THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1998-03-24 US disclosed
WO-1995032221-A9 AUTOTAXIN: MOTILITY STIMULATING PROTEIN USEFUL IN CANCER DIAGNOSIS AND THERAPY 1996-01-04 WO disclosed
WO-1995032221-A2 AUTOTAXIN: MOTILITY STIMULATING PROTEIN USEFUL IN CANCER DIAGNOSIS AND THERAPY THE GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1995-11-30 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 (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-20110110886-A1 SMALL MOLECULE INHIBITORS OF AUTOTAXIN AND METHODS OF USE ENPP2, LPCAT3, LPAR1 TYMS 2916/4885TK1 688/4885POLB 1543/4885

“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.