SCHEMBL969339

SCHEMBL969339

OC[C@@H]1C[C@H](F)[C@H](n2cnc3c(O)ncnc32)O1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.46
ERBB2 P04626 1/20 0.46
SLC29A1 Q99808 3/20 0.43
ADORA3 P0DMS8 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
ADORA1 P30542 2/20 0.43
DPP4 P27487 1/20 0.43
MEN1 O00255 1/20 0.43
SLC28A1 O00337 1/20 0.43
MAP3K7 O43318 1/20 0.43
SLC28A2 O43868 1/20 0.43
GAPDH P04406 1/20 0.43
MAPK1 P28482 1/20 0.43
ADORA2A P29274 1/20 0.43
ADORA2B P29275 1/20 0.43
STAT6 P42226 1/20 0.43
PI4KA P42356 1/20 0.43
KMT2A Q03164 1/20 0.43
PI4K2B Q8TCG2 1/20 0.43
DOT1L Q8TEK3 1/20 0.43

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
SCHEMBL3067 1.00 EGFR (0.46) EGFRERBB2SLC29A1ADORA3SMN1; SMN2
SCHEMBL9447631 1.00 EGFR (0.46) EGFRERBB2SLC29A1ADORA3SMN1; SMN2
SCHEMBL30998177 1.00 EGFR (0.46) EGFRERBB2SLC29A1ADORA3SMN1; SMN2
SCHEMBL342030 1.00 EGFR (0.46) EGFRERBB2SLC29A1ADORA3SMN1; SMN2
SCHEMBL7898159 0.99 EGFR (0.45) EGFRERBB2SLC29A1ADORA3SMN1; SMN2
Water SCHEMBL8705007 0.99 EGFR (0.45) EGFRERBB2SLC29A1ADORA3SMN1; SMN2
Water SCHEMBL27310451 0.99 EGFR (0.45) EGFRERBB2SLC29A1ADORA3SMN1; SMN2
SCHEMBL7898163 0.99 EGFR (0.45) EGFRERBB2SLC29A1ADORA3SMN1; SMN2
Water SCHEMBL8705010 0.99 EGFR (0.45) EGFRERBB2SLC29A1ADORA3SMN1; SMN2
Water SCHEMBL7907737 0.98 EGFR (0.44) EGFRERBB2SLC29A1ADORA3SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7741372-B2 Guanylhydrazones useful for treating diseases associated with T cell activation CYTOKINE PHARMASCIENCES, INC. (US) 2010-06-22 US claimed
US-5565437-A 2',3'-dideoxy-2'-fluoro-purine nucleosides and methods for using same THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1996-10-15 US claimed
US-5495010-A Acid stable purine dideoxynucleosides THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1996-02-27 US claimed
EP-0287313-B1 Acid stable dideoxynucleosides active against the cytopathic effects of human immunodeficiency virus US COMMERCE (US) 1995-01-04 EP claimed
EP-0464137-A4 INHIBITION OF HIV USING SYNERGISTIC COMBINATIONS OF NUCLEOSIDE DERIVATIVES 1992-01-15 EP claimed
EP-0464137-A1 INHIBITION OF HIV USING SYNERGISTIC COMBINATIONS OF NUCLEOSIDE DERIVATIVES ONCOGEN LIMITED PARTNERSHIP (US) 1992-01-08 EP claimed
EP-0428109-A2 Deoxyfluoronucleoside process Bristol-Myers Squibb Company (US) 1991-05-22 EP claimed
WO-1990011081-A1 INHIBITION OF HIV USING SYNERGISTIC COMBINATIONS OF NUCLEOSIDE DERIVATIVES ONCOGEN LIMITED PARTNERSHIP (US) 1990-10-04 WO claimed
US-20210069259-A1 COMPOSITIONS AND METHODS FOR TREATING SKIN INFECTIONS AND OTHER DISEASES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2021-03-11 US disclosed
EP-2250148-B1 CRYSTALLINE FORM OF CALCIUM-SALTS OF (3S)-AMINOMETHYL-5-METHYL-HEXANOIC ACIDS AND METHODS OF USE XENOPORT INC (US) 2016-08-17 EP disclosed
US-8916550-B2 Compounds for modulating TRPV3 function HYDRA BIOSCIENCES, INC. (US) 2014-12-23 US disclosed
US-8603965-B2 Pharmaceutical composition for the prophylaxis and treatment of HIV infection and its use FUSOGEN PHARMACEUTICALS, INC. (CN) 2013-12-10 US disclosed
US-8258179-B2 Crystalline form of a (3S)-aminomethyl-5-methyl-hexanoic acid prodrug and methods of use XENOPORT, INC. (US) 2012-09-04 US disclosed
US-20110224295-A1 CRYSTALLINE FORM OF A (3S)-AMINOMETHYL-5-METHYL-HEXANOIC ACID PRODRUG AND METHODS OF USE XENOPORT, INC. (US) 2011-09-15 US disclosed
US-5336764-A 2'-fluorofuranosyl derivatives and novel method of preparing 2'-fluoropyrimidine and 2'-fluoropurine nucleosides THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1994-08-09 US disclosed
WO-1992001700-A1 2'-FLUOROFURANOSYL DERIVATIVES AND NOVEL METHOD OF PREPARING 2'-FLUOROPYRIMIDINE AND 2'-FLUOROPURINE NUCLEOSIDES THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, U.S. DEPARTMENT OF COMMERCE (US) 1992-02-06 WO disclosed
EP-0464137-A4 INHIBITION OF HIV USING SYNERGISTIC COMBINATIONS OF NUCLEOSIDE DERIVATIVES 1992-01-15 EP disclosed
EP-0464137-A1 INHIBITION OF HIV USING SYNERGISTIC COMBINATIONS OF NUCLEOSIDE DERIVATIVES ONCOGEN LIMITED PARTNERSHIP (US) 1992-01-08 EP disclosed
EP-0428109-A2 Deoxyfluoronucleoside process Bristol-Myers Squibb Company (US) 1991-05-22 EP disclosed
WO-1990011081-A1 INHIBITION OF HIV USING SYNERGISTIC COMBINATIONS OF NUCLEOSIDE DERIVATIVES ONCOGEN LIMITED PARTNERSHIP (US) 1990-10-04 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-20110224295-A1 CRYSTALLINE FORM OF A (3S)-AMINOMETHYL-5-METHYL-HEXANOIC ACID PRODRUG AND METHODS OF USE HEXA, ADSL, CYP2S1 EGFR 2216/4885ERBB2 4011/4885SLC29A1 436/4885

“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.