Sugi Predict

Sugi Predict / Compounds / SCHEMBL2520545

SCHEMBL2520545

SCHEMBL2520545

O=C(Cc1ccccn1)OC(=O)Cc1ccccn1.O=[Cr](=O)(O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 3/20 0.47
▸ NPC1 O15118 2/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ CYP1A2 P05177 2/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ PTPRA P18433 1/20 0.44
▸ POLB P06746 1/20 0.43
▸ IDO1 P14902 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ PARP10 Q53GL7 1/20 0.42
▸ GLS O94925 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ CA5A P35218 1/20 0.40
▸ CA7 P43166 1/20 0.40
▸ CA5B Q9Y2D0 1/20 0.40

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
SCHEMBL375765 0.93 RAB9A (0.53) RAB9ANPC1SMN1; SMN2CYP1A2ALDH1A1
Methyl Alcohol SCHEMBL3396777 0.91 ALDH1A1 (0.53) RAB9ANPC1SMN1; SMN2CYP1A2ALDH1A1
Acetic Acid SCHEMBL6285526 0.86 ALDH1A1 (0.53) RAB9ANPC1SMN1; SMN2CYP1A2ALDH1A1
SCHEMBL8614692 0.85 RAB9A (0.46) RAB9ANPC1SMN1; SMN2CYP1A2ALDH1A1
Pyrrole SCHEMBL28308888 0.85 RAB9A (0.46) RAB9ANPC1SMN1; SMN2CYP1A2ALDH1A1
Toluene SCHEMBL10939845 0.83 MAPT (0.48) RAB9ANPC1SMN1; SMN2CYP1A2ALDH1A1
Acetonitrile SCHEMBL10666479 0.83 ALDH1A1 (0.46) RAB9ANPC1SMN1; SMN2CYP1A2ALDH1A1
SCHEMBL1714515 0.83 ALDH1A1 (0.53) RAB9ANPC1SMN1; SMN2CYP1A2ALDH1A1
SCHEMBL9680519 0.80 CYP1A2 (0.43) RAB9ANPC1SMN1; SMN2CYP1A2ALDH1A1
SCHEMBL78000 0.79 SMN1; SMN2 (0.53) RAB9ANPC1SMN1; SMN2CYP1A2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8039614-B2 4' -C-substituted-2-haloadenosine derivative YAMASA CORPORATION (JP) 2011-10-18 — — US disclosed
US-7625877-B2 4′-c-substituted-2-haloadenosine derivative YAMASA CORPORATION (JP) 2009-12-01 — — US disclosed
US-20090234110-A1 4' -C-substituted-2-haloadenosine derivative KOHGO SATORU 2009-09-17 — — US disclosed
US-20080153774-A1 Acquired Immune Deficiency Syndrome (AIDS); 2'-deoxy-4'-C-ethynyl-2-fluoroadenosine; anti-HIV activity, particularly against a multi-drug-resistant HIV strain; less cytotoxicity, exhibit resistance to inactivation by adenosine deaminase KOHGO SATORU 2008-06-26 — — US disclosed
US-7339053-B2 4′-C-substituted-2-haloadenosine derivative YAMASA CORPORATION (JP) 2008-03-04 — — US disclosed
EP-1589026-A1 4'-C-Substituted-2-Haloadenosine derivative YAMASA CORPORATION (JP) 2005-10-26 — — EP disclosed
US-20050215512-A1 4' -C-substituted-2-haloadenosine derivative YAMASA CORPORATION (JP) 2005-09-29 — — US disclosed
EP-1177201-B1 4'-C-ETHYNYL PYRIMIDINE NUCLEOSIDES YAMASA CORP (JP) 2003-09-24 — — EP disclosed
EP-1177202-B1 4'-C-ETHYNYL PURINE NUCLEOSIDES YAMASA CORP (JP) 2003-09-24 — — EP disclosed
US-6403568-B1 FOR THERAPY OF ACQUIRED IMMUNODEFICIENCY SYNDROME (AIDS) YAMASA CORPORATION (JP) 2002-06-11 — — US disclosed
US-20020022722-A1 4'-C-ethynyl pyrimidine nucleoside compounds OHRUI HIROSHI (JP) 2002-02-21 — — US disclosed
EP-1177202-A1 4'-C-ETHYNYL PURINE NUCLEOSIDES YAMASA CORPORATION (JP) 2002-02-06 — — EP disclosed
EP-1177201-A1 4'-C-ETHYNYL PYRIMIDINE NUCLEOSIDES YAMASA CORPORATION (JP) 2002-02-06 — — EP disclosed
US-6333315-B1 FOR THERAPY OF AIDS(ACQUIRE IMMUNODEFICIENCY SYNDROME) YAMASA CORPORATION (JP) 2001-12-25 — — US disclosed
US-6291670-B1 VIRICIDES AGAINST HUMAN IMMUNODEFICIENCY VIRUS AND AIDS (ACQUIRED IMMUNE DEFICIENCY SYNDROME) YAMASA CORPORATION (JP) 2001-09-18 — — US disclosed
WO-2000069877-A1 4'-C-ETHYNYL PURINE NUCLEOSIDES YAMASA CORPORATION (JP) 2000-11-23 — — WO disclosed
WO-2000069876-A1 4'-C-ETHYNYL PYRIMIDINE NUCLEOSIDES YAMASA CORPORATION (JP) 2000-11-23 — — WO disclosed
US-5811408-A ANTITUMOR AND ANTICARCINOGENIC AGENT; INTRODUCING SULFONYL GROUP ON HYDROXY GROUP OF TETRAHYDROFURAN RING, HYDROLYSIS, BLOCKING, OXIDATION, WITTING REACTION, DEPROTECTION AND PHOSPHORYLATION YAMASA CORPORATION (JP) 1998-09-22 — — US disclosed
EP-0770621-A1 2'-DEOXY-2'-(SUBSTITUTED OR UNSUBSTITUTED METHYLIDENE)-4'-THIONUCLEOSIDE YAMASA CORPORATION (JP) 1997-05-02 — — EP 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 (4 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-20020022722-A1 4'-C-ethynyl pyrimidine nucleoside compounds PNP, TYMP, NUDT1 RAB9A 2058/4885NPC1 254/4885SMN1; SMN2 3628/4885
US-20080153774-A1 Acquired Immune Deficiency Syndrome (AIDS); 2'-deoxy-4'-C-ethynyl-2-fluoroadenosine; anti-HIV activity, particularly against a multi-drug-resistant HIV strain; less cytotoxicity, exhibit resistance to inactivation by adenosine deaminase ADA, PNP, DCTD RAB9A 968/4885NPC1 441/4885SMN1; SMN2 4625/4885
US-20050215512-A1 4' -C-substituted-2-haloadenosine derivative ADORA1, ADORA2A, ADORA3 RAB9A 1210/4885NPC1 45/4885SMN1; SMN2 4742/4885
US-20090234110-A1 4' -C-substituted-2-haloadenosine derivative ADORA1, ADORA2A, ADORA3 RAB9A 1240/4885NPC1 174/4885SMN1; SMN2 4661/4885

“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.