SCHEMBL5050593

SCHEMBL5050593

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

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP9 P14780 1/20 0.33
MMP8 P22894 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 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
SCHEMBL28455795 1.00 CA12 (0.33) CA12CA1CA2MMP1MMP2
Cyclopentene SCHEMBL7793202 0.87 CA12 (0.30) CA12CA1CA2MMP1MMP2
SCHEMBL5146947 0.84 MMP1 (0.35) CA12CA1CA2MMP1MMP2
SCHEMBL27746065 0.83 KDM4E (0.30)
SCHEMBL12503916 0.83 KDM4E (0.30)
SCHEMBL10004949 0.81 CA12 (0.35) CA12CA1CA2MMP1MMP2
SCHEMBL29852867 0.81 CA12 (0.33) CA12CA1CA2MMP1MMP2
SCHEMBL21052575 0.80 MMP1 (0.31) MMP1MMP2
SCHEMBL17818353 0.80 MMP1 (0.31) MMP1MMP2
SCHEMBL7797032 0.79 TAS1R3 (0.37) MMP1MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012040126-A1 SUBSTITUTED NUCLEOTIDE ANALOGS ALIOS BIOPHARMA, INC. (US) 2012-03-29 WO disclosed
WO-2008131501-A2 NEW ANTI-VIRAL NUCLEOSIDE ANALOGS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2008-11-06 WO disclosed
US-6482805-B2 AZT derivatives exhibiting spermicidal and anti-viral activity PARKER HUGHES INSTITUTE 2002-11-19 US disclosed
US-6407078-B1 THYMINE RING (E.G. AZIDOTHYMIDINE, AZT) THAT HAS 5-HALO, 6-ALKOXY SUBSTITUTION PARKER HUGHES INSTITUTE 2002-06-18 US disclosed
EP-1202749-A2 ENZYME CATALYZED ANTI-INFECTIVE THERAPEUTIC AGENTS Newbiotics, Inc. (US) 2002-05-08 EP disclosed
US-20020025922-A1 AZT derivatives exhibiting spermicidal and anti-viral activity UCKUN, FATIH M. 2002-02-28 US disclosed
US-20020022600-A1 AZT DERIVATIVES EXHIBITING SPERMICIDAL AND ANTI-VIRAL ACTIVITY UCKUN, FATIH M. 2002-02-21 US disclosed
EP-1117669-A1 ANTIVIRAL PURINE DERIVATIVES UNIVERSITY COLLEGE CARDIFF CONSULTANTS LTD. (GB) 2001-07-25 EP disclosed
US-6191120-B1 CONTRACEPTIVE; VIRICIDE WAYNE HUGHES INSTITUTE 2001-02-20 US disclosed
WO-2001007087-A2 ENZYME CATALYZED ANTI-INFECTIVE THERAPEUTIC AGENTS NEWBIOTICS, INC. (US) 2001-02-01 WO disclosed
EP-1068215-A1 AZT DERIVATIVES EXHIBITING SPERMICIDAL AND ANTI-VIRAL ACTIVITY Parker Hughes Institute (US) 2001-01-17 EP disclosed
EP-1045897-A1 ENZYME CATALYZED THERAPEUTIC AGENTS Newbiotics Inc. (US) 2000-10-25 EP disclosed
EP-1045897-A4 ENZYME CATALYZED THERAPEUTIC AGENTS NEWBIOTICS INC (US) 2000-10-25 EP disclosed
WO-2000018775-A1 ANTIVIRAL PURINE DERIVATIVES UNIVERSITY COLLEGE CARDIFF CONSULTANTS LIMITED (GB) 2000-04-06 WO disclosed
WO-1999048902-A1 AZT DERIVATIVES EXHIBITING SPERMICIDAL AND ANTI-VIRAL ACTIVITY PARKER HUGHES INSTITUTE (US) 1999-09-30 WO disclosed
WO-1999037753-A1 ENZYME CATALYZED THERAPEUTIC AGENTS NEWBIOTICS, INC. (US) 1999-07-29 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-20020022600-A1 AZT DERIVATIVES EXHIBITING SPERMICIDAL AND ANTI-VIRAL ACTIVITY TYMP, DUT, UNG CA12 4874/4885CA1 4694/4885CA2 4781/4885
US-20020025922-A1 AZT derivatives exhibiting spermicidal and anti-viral activity TYMP, DUT, UNG CA12 4874/4885CA1 4694/4885CA2 4781/4885

“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.