SCHEMBL4282703

SCHEMBL4282703

C[C@H](NOCc1ccccc1)C(=O)OP(=O)(O)Cl

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
MMP2 P08253 1/20 0.46
CA9 Q16790 1/20 0.46
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
ELANE P08246 1/20 0.41
ALDH1A1 P00352 2/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.40
MME P08473 1/20 0.39
ECE1 P42892 1/20 0.39

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
SCHEMBL4282571 1.00 CA1 (0.46) CA1CA2MMP2CA9NPC1
SCHEMBL27536452 1.00 CA1 (0.46) CA1CA2MMP2CA9NPC1
SCHEMBL1287355 0.90 CA1 (0.47) CA1CA2MMP2CA9NPC1
SCHEMBL7701970 0.89 NPC1 (0.45) CA1CA2MMP2CA9NPC1
SCHEMBL5142558 0.89 NPC1 (0.45) CA1CA2MMP2CA9NPC1
SCHEMBL28454216 0.88 CA1 (0.45) CA1CA2MMP2CA9NPC1
SCHEMBL7701967 0.87 NPC1 (0.46) CA1CA2MMP2CA9NPC1
SCHEMBL7105161 0.87 MEN1 (0.40) CA1CA2MMP2CA9ALDH1A1
SCHEMBL3720801 0.87 ELANE (0.42) NPC1RAB9AELANEALDH1A1TSHR
SCHEMBL4265208 0.86 NPC1 (0.47) CA1CA2MMP2CA9NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3720864-A1 SALTS OF DIPHOSPHATE PHOSPHORAMIDATE OF NUCLEOSIDES AS ANTICANCER COMPOUNDS Nucana PLC (GB) 2020-10-14 EP disclosed
WO-2019110991-A1 SALTS OF DIPHOSPHATE PHOSPHORAMIDATE OF NUCLEOSIDES AS ANTICANCER COMPOUNDS NuCana plc (GB) 2019-06-13 WO disclosed
EP-1928475-B1 ANTIVIRAL PHOSPHORAMIDATES OF 4'-C-AZIDO-SUBSTITUTED PRONUCLEOTIDES RIBOSCIENCE LLC (US) 2018-05-23 EP disclosed
EP-2658857-B1 SUBSTITUTED PURINE NUCLEOSIDES, PHOSPHOROAMIDATE AND PHOSPHORODIAMIDATE DERIVATIVES FOR TREATMENT OF VIRAL INFECTIONS INHIBITEX INC (US) 2016-11-02 EP disclosed
US-20160166596-A1 PHOSPHORAMIDATE DERIVATIVES OF 5 - FLUORO - 2` - DEOXYURIDINE FOR USE IN THE TREATMENT OF CANCER NuCana plc (GB) 2016-06-16 US disclosed
EP-2681227-A1 PHOSPHORAMIDATE DERIVATIVES OF 5 - FLUORO - 2 ' - DEOXYURIDINE FOR USE IN THE TREATMENT OF CANCER Nucana Biomed Limited (GB) 2014-01-08 EP disclosed
EP-2658857-A2 SUBSTITUTED PURINE NUCLEOSIDES, PHOSPHOROAMIDATE AND PHOSPHORODIAMIDATE DERIVATIVES FOR TREATMENT OF VIRAL INFECTIONS Inhibitex, Inc. (US) 2013-11-06 EP disclosed
WO-2012117246-A1 PHOSPHORAMIDATE DERIVATIVES OF 5 - FLUORO - 2 ' - DEOXYURIDINE FOR USE IN THE TREATMENT OF CANCER NUCANA BIOMED LIMITED (GB) 2012-09-07 WO disclosed
WO-2012092484-A2 SUBSTITUTED PURINE NUCLEOSIDES, PHOSPHOROAMIDATE AND PHOSPHORODIAMIDATE DERIVATIVES FOR TREATMENT OF VIRAL INFECTIONS INHIBITEX, INC. (US) 2012-07-05 WO disclosed
US-7608599-B2 Antiviral phosphoramidates ROCHE PALO ALTO LLC (US) 2009-10-27 US disclosed
US-6350736-B1 phenyl methoxyalaninyl phosphate derivatives of 2',3'-didehydro-2',3'-dideoxythymidine with an electron-withdrawing moiety, such as p-bromo, for enhanced hydrolysis, have increased potency without high cytotoxic activity; inhibitors of HIV reverse transcriptase; thymidine-kinase (TK)-deficient cells PARKER HUGHES INSTITUTE 2002-02-26 US disclosed
EP-1165560-A1 2-HYDROXY METHYLCYCLOPRO PYLIDENEMETHYL PURINES AND -PYRIMIDINES AS ANTIVIRAL AGENTS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2002-01-02 EP disclosed
US-20010031745-A1 Antiviral purine derivatives UNIVERSITY COLLEGE CARDIFF CONSULTANTS LIMITED (GB) 2001-10-18 US disclosed
EP-1117669-A1 ANTIVIRAL PURINE DERIVATIVES UNIVERSITY COLLEGE CARDIFF CONSULTANTS LTD. (GB) 2001-07-25 EP disclosed
EP-1090018-A1 ARYL PHOSPHATE DERIVATIVES OF d4T HAVING ANTI-HIV ACTIVITY Parker Hughes Institute (US) 2001-04-11 EP disclosed
WO-2000053603-A1 2-HYDROXY METHYLCYCLOPRO PYLIDENEMETHYL PURINES AND -PYRIMIDINES AS ANTIVIRAL AGENTS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2000-09-14 WO disclosed
WO-2000018775-A1 ANTIVIRAL PURINE DERIVATIVES UNIVERSITY COLLEGE CARDIFF CONSULTANTS LIMITED (GB) 2000-04-06 WO disclosed
US-6030957-A INHIBITING HIV(HUMAN IMMUNODEFICIENCY VIRUS) REVERSE TRANSCIPTASE IN CELLS INFECTED WITH HIV BY ADMINISTERING TO INFECTED CELLS ARYLPHOSPHATE DERIVATIVE OF 2',3'-DIDEHYDRO-2',3'-DIDEOXYTHYMIDINE WAYNE HUGHES INSTITUTE (US) 2000-02-29 US disclosed
WO-2000000501-A1 ARYL PHOSPHATE DERIVATIVES OF d4T HAVING ANTI-HIV ACTIVITY PARKER HUGHES INSTITUTE (US) 2000-01-06 WO disclosed
WO-1998030563-A1 2-HYDROXYMETHYLCYCLOPROPYLI- DENEMETHYLPURINES AND -PYRIMIDINES AS ANTIVIRAL AGENTS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 1998-07-16 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-20160166596-A1 PHOSPHORAMIDATE DERIVATIVES OF 5 - FLUORO - 2` - DEOXYURIDINE FOR USE IN THE TREATMENT OF CANCER SLC29A2, SLC29A1, TYMP CA1 4716/4885CA2 4201/4885MMP2 3540/4885
US-20010031745-A1 Antiviral purine derivatives PNP, TYMP, MTAP CA1 4421/4885CA2 4188/4885MMP2 4374/4885

“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.