Sugi Predict

Sugi Predict / Compounds / SCHEMBL3228306

SCHEMBL3228306

SCHEMBL3228306

COC(=O)Cl.O=C(Cl)Oc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.46
▸ MAPT P10636 4/20 0.46
▸ GAA P10253 3/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ HTT P42858 1/20 0.46
▸ TSHR P16473 1/20 0.45
▸ HSP90AA1 P07900 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ TDP1 Q9NUW8 2/20 0.44
▸ ATM Q13315 2/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ HPGD P15428 2/20 0.43
▸ ELANE P08246 2/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ CA4 P22748 1/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ THRB P10828 1/20 0.42

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
Methyl Alcohol SCHEMBL28471241 0.91 TDP1 (0.47) ALDH1A1MAPTGAAHSP90AA1TDP1
Benzene SCHEMBL7925278 0.91 TDP1 (0.50) ALDH1A1MAPTTSHRTDP1ATM
SCHEMBL3302 0.91 TDP1 (0.50) ALDH1A1MAPTTSHRTDP1ATM
SCHEMBL370622 0.91 TDP1 (0.50) ALDH1A1MAPTTSHRTDP1ATM
Acetic Acid SCHEMBL27442529 0.89 ELANE (0.48) ALDH1A1MAPTGAAHSP90AA1TDP1
SCHEMBL10975650 0.89 TDP1 (0.48) ALDH1A1MAPTTDP1ATML3MBTL1
SCHEMBL27326182 0.89 TDP1 (0.48) ALDH1A1MAPTTDP1ATML3MBTL1
Bicarbonate SCHEMBL29032037 0.89 TDP1 (0.48) ALDH1A1MAPTTDP1ATML3MBTL1
SCHEMBL27902340 0.89 TDP1 (0.48) ALDH1A1MAPTTDP1ATML3MBTL1
Hydrochloric Acid SCHEMBL3896561 0.89 TDP1 (0.48) ALDH1A1MAPTTDP1ATML3MBTL1

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-20100093765-A1 NOVEL COMPOUNDS CALLAHAN JAMES F 2010-04-15 — — US disclosed
US-20100093766-A1 NOVEL COMPOUNDS CALLAHAN JAMES F 2010-04-15 — — US disclosed
US-20100069409-A1 \"NOVEL COMPOUNDS\ GLAXO GROUP LIMITED (GB) 2010-03-18 — — US disclosed
US-7674789-B2 Compounds GLAXO GROUP LIMITED (GB) 2010-03-09 — — US disclosed
US-20090318424-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2009-12-24 — — US disclosed
US-20090239846-A1 Novel Compounds GLAXO GROUP LIMITED (GB) 2009-09-24 — — US disclosed
EP-2031965-A2 NOVEL COMPOUNDS Glaxo Group Limited (GB) 2009-03-11 — — EP disclosed
EP-2032142-A2 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2009-03-11 — — EP disclosed
US-20090048444-A1 Process for Preparing Pyrido[2,3-d]pyrimidin-7-one and 3,4-Dihydropyrimido[4,5-d]pyrimidin-2(1H)-one Derivatives GLAXO GROUP LIMITED 2009-02-19 — — US disclosed
US-7479558-B2 Process for preparing pyrido[2,3-d]pyrimidin-7-one and 3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one derivatives GLAXO GROUP LIMITED (GB) 2009-01-20 — — US disclosed
US-20080096905-A1 Process For Preparing Pyrido[2,3-D]Pyrimidin-7-One And 3,4-Dihydropyrimido{4,5-D}Pyrimidin-2(1H)-One Derivatives GLAXO GROUP LIMITED (GB) 2008-04-24 — — US disclosed
WO-2007147104-A2 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2007-12-21 — — WO disclosed
WO-2007147109-A2 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2007-12-21 — — WO disclosed
EP-1865959-A2 PROCESS FOR PREPARING PYRIDOÝ2,3-D¨PYRIMIDIN-7-ONE AND 3,4-DIHYDROPYRIMIDOÝ4,5-D¨PYRIMIDIN-2(1H)-ONE DERIVATIVES GLAXO GROUP LIMITED (GB) 2007-12-19 — — EP disclosed
EP-1866311-A2 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2007-12-19 — — EP disclosed
US-20060258687-A1 Process for preparing pyrido[2,3-d]pyrimidin-7-one and 3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one derivatives GLAXO GROUP LIMITED (GB) 2006-11-16 — — US disclosed
US-20060235030-A1 Novel compounds GLAXO GROUP LIMITED (GB) 2006-10-19 — — US disclosed
WO-2006104889-A2 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2006-10-05 — — WO disclosed
WO-2006104917-A2 PROCESS FOR PREPARING PYRIDO[2,3-D]PYRIMIDIN-7-ONE AND 3,4-DIHYDROPYRIMIDO[4,5-D]PYRIMIDIN-2(1H)-ONE DERIVATIVES GLAXO GROUP LIMITED (GB) 2006-10-05 — — 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 (9 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-20060258687-A1 Process for preparing pyrido[2,3-d]pyrimidin-7-one and 3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one derivatives CBR3, CBR1, CYP2S1 ALDH1A1 865/4885MAPT 4841/4885GAA 4688/4885
US-20090048444-A1 Process for Preparing Pyrido[2,3-d]pyrimidin-7-one and 3,4-Dihydropyrimido[4,5-d]pyrimidin-2(1H)-one Derivatives CBR3, CBR1, CYP2S1 ALDH1A1 802/4885MAPT 4845/4885GAA 4627/4885
US-20080096905-A1 Process For Preparing Pyrido[2,3-D]Pyrimidin-7-One And 3,4-Dihydropyrimido{4,5-D}Pyrimidin-2(1H)-One Derivatives CYP2S1, CYP2F1, CBR3 ALDH1A1 366/4885MAPT 4853/4885GAA 4657/4885
US-20100093766-A1 NOVEL COMPOUNDS MAPKAPK2, MAPKAPK3, CDC42BPB ALDH1A1 4156/4885MAPT 2802/4885GAA 4724/4885
US-20090239846-A1 Novel Compounds MAPKAPK2, MAPKAPK3, CDC42BPB ALDH1A1 4156/4885MAPT 2802/4885GAA 4724/4885
US-20060235030-A1 Novel compounds MAPKAPK2, MAPKAPK3, CDC42BPB ALDH1A1 4156/4885MAPT 2802/4885GAA 4724/4885
US-20100069409-A1 \"NOVEL COMPOUNDS\ MAPKAPK2, CDC42BPB, MAP4K2 ALDH1A1 4413/4885MAPT 3006/4885GAA 4763/4885
US-20100093765-A1 NOVEL COMPOUNDS MAPKAPK2, MAPKAPK3, CDC42BPB ALDH1A1 4156/4885MAPT 2802/4885GAA 4724/4885
US-20090318424-A1 NOVEL COMPOUNDS MAPKAPK2, MAPKAPK3, CDC42BPB ALDH1A1 4156/4885MAPT 2802/4885GAA 4724/4885

“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.