Sugi Predict

Sugi Predict / Compounds / SCHEMBL1375599

SCHEMBL1375599

SCHEMBL1375599

CC(C)OC(OC(C)C)(OS(=O)(=O)c1ccccc1)P=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PSIP1 O75475 1/20 0.36
▸ ALDH1A1 P00352 8/20 0.35
▸ MAPT P10636 7/20 0.35
▸ RAB9A P51151 5/20 0.35
▸ NPSR1 Q6W5P4 5/20 0.35
▸ HSP90AA1 P07900 4/20 0.35
▸ MPI P34949 4/20 0.35
▸ LMNA P02545 3/20 0.35
▸ KDM4E B2RXH2 3/20 0.35
▸ MAPK1 P28482 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ PAX8 Q06710 1/20 0.35
▸ XBP1 P17861 3/20 0.33
▸ S1PR2 O95136 2/20 0.33
▸ TDP1 Q9NUW8 2/20 0.33
▸ PARL Q9H300 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ OPRM1 P35372 1/20 0.33
▸ OPRD1 P41143 1/20 0.33

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
SCHEMBL6055317 0.86 GAA (0.37) ALDH1A1MAPTRAB9ANPSR1HSP90AA1
SCHEMBL1375600 0.74 ALDH1A1 (0.35) PSIP1ALDH1A1MAPTRAB9ANPSR1
SCHEMBL780154 0.69 HTR6 (0.44) PSIP1ALDH1A1MAPTRAB9ANPSR1
SCHEMBL778532 0.69 ALDH1A1 (0.46) PSIP1ALDH1A1MAPTRAB9ANPSR1
SCHEMBL28621142 0.67 HTR6 (0.42) PSIP1ALDH1A1MAPTRAB9ANPSR1
SCHEMBL1147676 0.67 HTR6 (0.42) PSIP1ALDH1A1MAPTRAB9ANPSR1
Lithium SCHEMBL31518227 0.67 HTR6 (0.42) PSIP1ALDH1A1MAPTRAB9ANPSR1
Potassium SCHEMBL31565128 0.67 ALDH1A1 (0.44) PSIP1ALDH1A1MAPTRAB9ANPSR1
Ammonia Solution, Strong SCHEMBL7019963 0.67 HTR6 (0.42) PSIP1ALDH1A1MAPTRAB9ANPSR1
SCHEMBL28301329 0.67 ALDH1A1 (0.44) PSIP1ALDH1A1MAPTRAB9ANPSR1

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-9139604-B2 Antiviral phosphonate analogs GILEAD SCIENCES, INC. (US) 2015-09-22 — — US disclosed
US-20150025039-A1 ANTIVIRAL PHOSPHONATE ANALOGS GILEAD SCIENCES, INC. 2015-01-22 — — US disclosed
US-8871785-B2 Antiviral phosphonate analogs GILEAD SCIENCES, INC. (US) 2014-10-28 — — US disclosed
US-20130316969-A1 ANTIVIRAL PHOSPHONATE ANALOGS GILEAD SCIENCES, INC. (US) 2013-11-28 — — US disclosed
CN-1780643-B Antiviral phosphonate analogs GILEAD SCIENCES INC 2012-04-25 — — CN disclosed
US-20110288053-A1 ANTIVIRAL PHOSPHONATE ANALOGS GILEAD SCIENCES, INC. (US) 2011-11-24 — — US disclosed
US-8022083-B2 Antiviral phosphonate analogs GILEAD SCIENCES, INC. (US) 2011-09-20 — — US disclosed
US-20100022467-A1 ANTI-CANCER PHOSPHONATE ANALOGS BOOJAMRA CONSTANTINE G 2010-01-28 — — US disclosed
US-20090275535-A1 ANTIVIRAL PHOSPHONATE ANALOGS GILEAD SCIENCES, INC. 2009-11-05 — — US disclosed
US-7452901-B2 Anti-cancer phosphonate analogs GILEAD SCIENCES, INC. (US) 2008-11-18 — — US disclosed
US-7429565-B2 Antiviral phosphonate analogs GILEAD SCIENCES, INC. (US) 2008-09-30 — — US disclosed
CN-1780643-A Antiviral phosphonate analogs GILEAD SCIENCES INC (US) 2006-05-31 — — CN disclosed
CN-1780631-A anticancer phosphonate analogs GILEAD SCIENCES INC (US) 2006-05-31 — — CN disclosed
US-20060079478-A1 Anti-cancer phosphonate analogs GILEAD SCIENCES, INC. 2006-04-13 — — US disclosed
EP-1628685-A2 ANTIVIRAL PHOSPHONATE ANALOGS GILEAD SCIENCES, INC. (US) 2006-03-01 — — EP disclosed
EP-1617848-A2 ANTI-CANCER PHOSPHONATE CONJUGATES GILEAD SCIENCES, INC. (US) 2006-01-25 — — EP disclosed
US-20050215513-A1 Use of an antiviral compound linked to one or more phosphonate groups in hepatitis C treatment; improved bioavailability, side effect reduction; antiviral compound is a 2-(2-isopropylaminothiazol-4-yl)-4-(tricyclic fused ring)-7-methoxy-quinoline compound GILEAD SCIENCES, INC. 2005-09-29 — — US disclosed
WO-2004096286-A2 ANTIVIRAL PHOSPHONATE ANALOGS GILEAD SCIENCES, INC. (US) 2004-11-11 — — WO disclosed
WO-2004096235-A2 ANTI-CANCER PHOSPHONATE ANALOGS GILEAD SCIENCES, INC. (US) 2004-11-11 — — 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 (7 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-20150025039-A1 ANTIVIRAL PHOSPHONATE ANALOGS TYMP, ITPA, PNP PSIP1 295/4885ALDH1A1 4754/4885MAPT 3476/4885
US-20110288053-A1 ANTIVIRAL PHOSPHONATE ANALOGS TYMP, ITPA, PNP PSIP1 295/4885ALDH1A1 4754/4885MAPT 3476/4885
US-20130316969-A1 ANTIVIRAL PHOSPHONATE ANALOGS TYMP, ITPA, PNP PSIP1 295/4885ALDH1A1 4754/4885MAPT 3476/4885
US-20090275535-A1 ANTIVIRAL PHOSPHONATE ANALOGS TYMP, ITPA, PNP PSIP1 295/4885ALDH1A1 4754/4885MAPT 3476/4885
US-20050215513-A1 Use of an antiviral compound linked to one or more phosphonate groups in hepatitis C treatment; improved bioavailability, side effect reduction; antiviral compound is a 2-(2-isopropylaminothiazol-4-yl)-4-(tricyclic fused ring)-7-methoxy-quinoline compound EIF2AK2, PNP, NUDT1 PSIP1 145/4885ALDH1A1 3720/4885MAPT 3398/4885
US-20060079478-A1 Anti-cancer phosphonate analogs PIK3CA, PHOSPHO1, PTEN PSIP1 407/4885ALDH1A1 3678/4885MAPT 4166/4885
US-20100022467-A1 ANTI-CANCER PHOSPHONATE ANALOGS PIK3CA, PHOSPHO1, PTEN PSIP1 407/4885ALDH1A1 3678/4885MAPT 4166/4885

“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.