Sugi Predict

Sugi Predict / Compounds / SCHEMBL3314941

SCHEMBL3314941

SCHEMBL3314941

CCOC(=O)C(O)CCC(N)=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 2/20 0.44
▸ KMT2A Q03164 3/20 0.39
▸ BLM P54132 1/20 0.39
▸ PMP22 Q01453 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.37
▸ CAD P27708 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ METAP2 P50579 4/20 0.36
▸ METAP1 P53582 2/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CPB2 Q96IY4 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ MGAM O43451 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ SI P14410 1/20 0.34

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
SCHEMBL8100254 0.81 L3MBTL1 (0.55) ALOX15KMT2AALDH1A1L3MBTL1CYP1A2
SCHEMBL27642794 0.81 TET2 (0.54) ALOX15KMT2AALDH1A1L3MBTL1CYP1A2
SCHEMBL1538915 0.79 ALOX15 (0.54) ALOX15KMT2ABLMPMP22ALDH1A1
SCHEMBL1538912 0.79 ALOX15 (0.54) ALOX15KMT2ABLMPMP22ALDH1A1
SCHEMBL3316325 0.79 ALOX15 (0.40) ALOX15KMT2ACYP1A2CYP2C19SOAT1
SCHEMBL6469622 0.79 L3MBTL1 (0.34) ALOX15KMT2AALDH1A1L3MBTL1METAP2
SCHEMBL17069883 0.78 CPB2 (0.46) ALOX15ALDH1A1CADL3MBTL1METAP2
SCHEMBL6515451 0.78 ALDH1A1 (0.43) ALOX15ALDH1A1L3MBTL1CYP1A2CPB2
SCHEMBL820658 0.78 ALDH1A1 (0.43) ALOX15ALDH1A1L3MBTL1CYP1A2CPB2
SCHEMBL25141834 0.78 ALOX15 (0.43) ALOX15KMT2ABLMPMP22ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8324179-B2 Nucleoside analogs for antiviral treatment GILEAD SCIENCES, INC. (US) 2012-12-04 — — US disclosed
US-7842672-B2 Phosphonate inhibitors of HCV GILEAD SCIENCES, INC. (US) 2010-11-30 — — US disclosed
EP-1778249-B1 PHOSPHONATE PRODRUGS OF A 2'-FLUORO-2',3'-DIDEHYDRO-2',3'-DIDEOXYADENOSINE ANALOGUE AS ANTI-HIV AGENTS GILEAD SCIENCES INC (US) 2010-05-26 — — EP disclosed
US-20100104532-A1 NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. (US) 2010-04-29 — — US disclosed
US-7649015-B2 Cellular accumulation of phosphonate analogs of HIV protease inhibitor compounds GILEAD SCIENCES, INC. (US) 2010-01-19 — — US disclosed
US-7579332-B2 Nucleobase phosphonate analogs for antiviral treatment GILEAD SCIENCES, INC. (US) 2009-08-25 — — US disclosed
US-20090029939-A1 Pre-organized tricyclic integrase inhibitor compounds GILEAD SCIENCES, INC. 2009-01-29 — — US disclosed
US-7462721-B2 Aza-quinolinol phosphonate integrase inhibitor compounds GILEAD SCIENCES, INC. (US) 2008-12-09 — — US disclosed
US-7462608-B2 Non nucleoside reverse transcriptase inhibitors GILEAD SCIENCES, INC. (US) 2008-12-09 — — US disclosed
WO-2008100447-A2 NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. (US) 2008-08-21 — — WO disclosed
EP-1501841-A2 NON NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS GILEAD SCIENCES, INC. (US) 2005-02-02 — — EP disclosed
WO-2004096818-A2 METHOD AND COMPOSITIONS FOR IDENTIFYING ANTI-HIV THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. (US) 2004-11-11 — — WO disclosed
US-20040167124-A1 Pre-organized tricyclic integrase inhibitor compounds GILEAD SCIENCES, INC. 2004-08-26 — — US disclosed
US-20040157804-A1 Pre-organized tricyclic integrase inhibitor compounds GILEAD SCIENCES, INC. 2004-08-12 — — US disclosed
US-20040121316-A1 Method and compositions for identifying anti-HIV therapeutic compounds GILEAD SCIENCES, INC. 2004-06-24 — — US disclosed
WO-2004035576-A2 PRE-ORGANIZED TRICYCLIC INTEGRASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2004-04-29 — — WO disclosed
WO-2004035577-A2 PRE-ORGANIZED TRICYCLIC INTEGRASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2004-04-29 — — WO disclosed
WO-2003090691-A2 METHOD AND COMPOSITIONS FOR IDENTIFYING ANTI-HIV THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. (US) 2003-11-06 — — WO disclosed
WO-2003090690-A2 CELLULAR ACCUMULATION OF PHOSPHONATE ANALOGS OF HIV PROTEASE INHIBITOR COMPOUNDS AND THE COMPOUNDS AS SUCH GILEAD SCIENCES, INC. (US) 2003-11-06 — — WO disclosed
WO-2003091264-A2 NON NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS GILEAD SCIENCES, INC. (US) 2003-11-06 — — 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 (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-20040121316-A1 Method and compositions for identifying anti-HIV therapeutic compounds CES1, PNP, PGLS ALOX15 1373/4885KMT2A 4457/4885BLM 4340/4885
US-20040167124-A1 Pre-organized tricyclic integrase inhibitor compounds INTS6, INTS9, MUS81 ALOX15 4271/4885KMT2A 1262/4885BLM 383/4885
US-20040157804-A1 Pre-organized tricyclic integrase inhibitor compounds INTS6, INTS9, MUS81 ALOX15 4271/4885KMT2A 1262/4885BLM 383/4885
US-20090029939-A1 Pre-organized tricyclic integrase inhibitor compounds MUS81, CDKL4, INTS6 ALOX15 3779/4885KMT2A 1209/4885BLM 627/4885
US-20100104532-A1 NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT SLC29A1, NUDT1, EIF2AK2 ALOX15 358/4885KMT2A 4075/4885BLM 3494/4885

“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.