SCHEMBL1375645

SCHEMBL1375645

COC(=O)CCC(C)=CCc1c(O)c2c(c(C)c1OC)COC2=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IMPDH2 P12268 20/20 1.00
▸ IMPDH1 P20839 16/20 1.00
▸ KDM4E B2RXH2 1/20 0.82
▸ ALDH1A1 P00352 1/20 0.82
▸ LMNA P02545 1/20 0.82
▸ CYP1A2 P05177 1/20 0.82
▸ CYP3A4 P08684 1/20 0.82
▸ HPGD P15428 1/20 0.82
▸ UGT2B7 P16662 1/20 0.82
▸ SMN1; SMN2 Q16637 1/20 0.82
▸ HSD17B10 Q99714 1/20 0.82
▸ HDAC3 O15379 2/20 0.81
▸ HDAC4 P56524 2/20 0.81
▸ HDAC1 Q13547 2/20 0.81
▸ HDAC7 Q8WUI4 2/20 0.81
▸ HDAC2 Q92769 2/20 0.81
▸ HDAC10 Q969S8 2/20 0.81
▸ HDAC11 Q96DB2 2/20 0.81
▸ HDAC8 Q9BY41 2/20 0.81
▸ HDAC6 Q9UBN7 2/20 0.81

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
SCHEMBL1152477 1.00 IMPDH2 (1.00) IMPDH2IMPDH1KDM4EALDH1A1LMNA
SCHEMBL29463203 1.00 IMPDH2 (1.00) IMPDH2IMPDH1KDM4EALDH1A1LMNA
SCHEMBL24420499 0.93 IMPDH2 (0.86) IMPDH2IMPDH1KDM4EALDH1A1LMNA
SCHEMBL18538602 0.92 IMPDH2 (0.85) IMPDH2IMPDH1KDM4EALDH1A1LMNA
SCHEMBL18542936 0.92 IMPDH2 (0.85) IMPDH2IMPDH1KDM4EALDH1A1LMNA
SCHEMBL13058820 0.91 IMPDH2 (0.86) IMPDH2IMPDH1KDM4EALDH1A1LMNA
SCHEMBL14749220 0.91 IMPDH2 (0.83) IMPDH2IMPDH1KDM4EALDH1A1LMNA
Mycophenolic Acid SCHEMBL2514376 0.90 IMPDH2 (1.00) IMPDH2IMPDH1KDM4EALDH1A1LMNA
Mycophenolic Acid SCHEMBL5259872 0.90 IMPDH2 (1.00) IMPDH2IMPDH1KDM4EALDH1A1LMNA
Mycophenolic Acid SCHEMBL1230249 0.90 IMPDH2 (1.00) IMPDH2IMPDH1KDM4EALDH1A1LMNA

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 32 patents — showing the first 20. 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
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-20090247488-A1 ANTI-INFLAMMATORY PHOSPHONATE COMPOUNDS CANNIZZARO CARINA 2009-10-01 — — US disclosed
US-20090227543-A1 PHOSPHONATE COMPOUNDS HAVING IMMUNO-MODULATORY ACTIVITY CANNIZZARO CARINA 2009-09-10 — — US disclosed
EP-1617848-A2 ANTI-CANCER PHOSPHONATE CONJUGATES GILEAD SCIENCES, INC. (US) 2006-01-25 — — EP disclosed
US-20050256078-A1 Inosine monophosphate dehydrogenase inhibitory phosphonate compounds GILEAD SCIENCES, INC. 2005-11-17 — — US 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-2004100960-A2 ANTI-INFLAMMATORY PHOSPHONATE COMPOUNDS GILEAD SCIENCES, INC. (US) 2004-11-25 — — WO 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
WO-2004096287-A2 INOSINE MONOPHOSPHATE DEHYDROGENASE INHIBITORY PHOSPHONATE COMPOUNDS GILEAD SCIENCES, INC. (US) 2004-11-11 — — WO disclosed
WO-2004096236-A2 IMMUNOMODULATOR PHOSPHONATE CONJUGATES GILEAD SCIENCES, INC. (US) 2004-11-11 — — WO disclosed
US-4959387-A ISOBENZOFURAN COMPOUNDS SYNTEX (U.S.A.) INC. (US) 1990-09-25 — — US disclosed
US-4725622-A Mycophenolic acid derivatives in the treatment of rheumatoid arthritis SYNTEX (U.S.A.) INC. (US) 1988-02-16 — — US 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-20150025039-A1 ANTIVIRAL PHOSPHONATE ANALOGS TYMP, ITPA, PNP IMPDH2 246/4885IMPDH1 160/4885KDM4E 2471/4885
US-20110288053-A1 ANTIVIRAL PHOSPHONATE ANALOGS TYMP, ITPA, PNP IMPDH2 246/4885IMPDH1 160/4885KDM4E 2471/4885
US-20130316969-A1 ANTIVIRAL PHOSPHONATE ANALOGS TYMP, ITPA, PNP IMPDH2 246/4885IMPDH1 160/4885KDM4E 2471/4885
US-20090227543-A1 PHOSPHONATE COMPOUNDS HAVING IMMUNO-MODULATORY ACTIVITY PHOSPHO1, NFATC1, IFNG IMPDH2 464/4885IMPDH1 421/4885KDM4E 3404/4885
US-20090275535-A1 ANTIVIRAL PHOSPHONATE ANALOGS TYMP, ITPA, PNP IMPDH2 246/4885IMPDH1 160/4885KDM4E 2471/4885
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 IMPDH2 306/4885IMPDH1 239/4885KDM4E 2597/4885
US-20090247488-A1 ANTI-INFLAMMATORY PHOSPHONATE COMPOUNDS PHOSPHO1, TNF, PTGES IMPDH2 2628/4885IMPDH1 2648/4885KDM4E 4225/4885
US-20050256078-A1 Inosine monophosphate dehydrogenase inhibitory phosphonate compounds IMPDH1, IMPDH2, ITPA IMPDH2 2/4885IMPDH1 1/4885KDM4E 3149/4885
US-20100022467-A1 ANTI-CANCER PHOSPHONATE ANALOGS PIK3CA, PHOSPHO1, PTEN IMPDH2 1980/4885IMPDH1 1660/4885KDM4E 1893/4885

“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.

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