SCHEMBL1733016

SCHEMBL1733016

Nc1ncnc2c1ncn2C/C=C/CCP(=O)(O)O

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ AHCY P23526 9/20 0.66
▸ FGFR1 P11362 1/20 0.55
▸ SLC22A6 Q4U2R8 1/20 0.55
▸ CYP3A4 P08684 1/20 0.52
▸ ADORA2A P29274 6/20 0.50
▸ ADORA1 P30542 4/20 0.50
▸ ENPP1 P22413 1/20 0.50
▸ PI4KA P42356 1/20 0.49
▸ PI4K2B Q8TCG2 1/20 0.49
▸ PI4K2A Q9BTU6 1/20 0.49
▸ PI4KB Q9UBF8 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.47
▸ ADORA2B P29275 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
SCHEMBL1733018 1.00 AHCY (0.66) AHCYFGFR1SLC22A6CYP3A4ADORA2A
SCHEMBL11378379 1.00 AHCY (0.66) AHCYFGFR1SLC22A6CYP3A4ADORA2A
Butane SCHEMBL1731733 0.95 AHCY (0.60) AHCYFGFR1SLC22A6CYP3A4ADORA2A
SCHEMBL11307115 0.90 AHCY (0.63) AHCYFGFR1SLC22A6CYP3A4ADORA2A
SCHEMBL5584021 0.86 AHCY (0.61) AHCYFGFR1SLC22A6ADORA2AADORA1
SCHEMBL11383312 0.82 FGFR1 (0.53) AHCYFGFR1SLC22A6CYP3A4ENPP1
SCHEMBL9285391 0.81 FGFR1 (0.62) AHCYFGFR1SLC22A6CYP3A4ADORA2A
SCHEMBL6158904 0.78 AHCY (0.76) AHCYADORA2AADORA1PI4KAPI4K2B
SCHEMBL28742775 0.78 FGFR1 (0.65) AHCYFGFR1SLC22A6CYP3A4ADORA2A
SCHEMBL9563483 0.78 AHCY (0.60) AHCYFGFR1SLC22A6CYP3A4ADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190142792-A1 ANTIVIRAL EPICATECHINS, EPICATECHIN OLIGOMERS, OR THIOLATED EPICATECHINS FROM THEOBROMA CACAO FOR TREATMENT OF GENITAL WARTS CACAO BIO-TECHNOLOGIES, LLC (US) 2019-05-16 — — US claimed
US-20170035726-A1 ANTIVIRAL EPICATECHINS, EPICATECHIN OLIGOMERS, OR THIOLATED EPICATECHINS FROM THEOBROMA CACAO FOR TREATMENT OF GENITAL WARTS CACAO BIO-TECHNOLOGIES, LLC (US) 2017-02-09 — — US claimed
US-20150011488-A1 ANTIVIRAL EPICATECHINS, EPICATECHIN OLIGOMERS, OR THIOLATED EPICATECHINS FROM THEOBROMA CACAO FOR TREATMENT OF GENITAL WARTS CACAO BIO-TECHNOLOGIES, LLC (US) 2015-01-08 — — US claimed
US-20110218241-A1 ANTIVIRAL EPICATECHINS, EPICATECHIN OLIGOMERS, OR THIOLATED EPICATECHINS FROM THEOBROMA CACAO FOR TREATMENT OF GENITAL WARTS CACAO BIO-TECHNOLOGIES, LLC (US) 2011-09-08 — — US claimed
US-8222257-B2 Phosphono-pent-2-en-1-yl nucleosides and analogs THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-07-17 — — US disclosed
EP-1866319-B1 PHOSPHONO-PENT-2-EN-1-YL NUCLEOSIDES AND ANALOGS UNIV CALIFORNIA (US) 2011-11-23 — — EP disclosed
US-20090215726-A1 Phosphono-Pent-2-en-1-yl Nucleosides and Analogs NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-08-27 — — 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 (5 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-20150011488-A1 ANTIVIRAL EPICATECHINS, EPICATECHIN OLIGOMERS, OR THIOLATED EPICATECHINS FROM THEOBROMA CACAO FOR TREATMENT OF GENITAL WARTS CUTA, OGG1, HAAO AHCY 816/4885FGFR1 4771/4885SLC22A6 4586/4885
US-20170035726-A1 ANTIVIRAL EPICATECHINS, EPICATECHIN OLIGOMERS, OR THIOLATED EPICATECHINS FROM THEOBROMA CACAO FOR TREATMENT OF GENITAL WARTS CUTA, OGG1, HAAO AHCY 816/4885FGFR1 4771/4885SLC22A6 4586/4885
US-20090215726-A1 Phosphono-Pent-2-en-1-yl Nucleosides and Analogs PNP, TYMP, ENPP1 AHCY 2934/4885FGFR1 2327/4885SLC22A6 3430/4885
US-20110218241-A1 ANTIVIRAL EPICATECHINS, EPICATECHIN OLIGOMERS, OR THIOLATED EPICATECHINS FROM THEOBROMA CACAO FOR TREATMENT OF GENITAL WARTS CUTA, OGG1, MGMT AHCY 570/4885FGFR1 4735/4885SLC22A6 4401/4885
US-20190142792-A1 ANTIVIRAL EPICATECHINS, EPICATECHIN OLIGOMERS, OR THIOLATED EPICATECHINS FROM THEOBROMA CACAO FOR TREATMENT OF GENITAL WARTS CUTA, OGG1, HAAO AHCY 816/4885FGFR1 4771/4885SLC22A6 4586/4885

“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.

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