SCHEMBL12300653

SCHEMBL12300653

COc1c(C)c2c(c(O)c1C/C=C(\C)CCC(=O)OCCP(C)(C)=O)C(=O)OC2

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IMPDH2 P12268 19/20 0.75
▸ IMPDH1 P20839 13/20 0.75
▸ ALDH1A1 P00352 2/20 0.71
▸ LMNA P02545 2/20 0.71
▸ HPGD P15428 2/20 0.71
▸ ABCC4 O15439 1/20 0.71
▸ NR1I2 O75469 1/20 0.71
▸ ABCB11 O95342 1/20 0.71
▸ SLC6A4 P31645 1/20 0.71
▸ KCNH2 Q12809 1/20 0.71
▸ PDE3A Q14432 1/20 0.71
▸ KDM4E B2RXH2 1/20 0.70
▸ CYP1A2 P05177 1/20 0.70
▸ CYP3A4 P08684 1/20 0.70
▸ UGT2B7 P16662 1/20 0.70
▸ SMN1; SMN2 Q16637 1/20 0.70
▸ HSD17B10 Q99714 1/20 0.70
▸ HDAC3 O15379 2/20 0.67
▸ HDAC4 P56524 2/20 0.67
▸ HDAC1 Q13547 2/20 0.67

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
SCHEMBL13985606 0.91 IMPDH2 (0.77) IMPDH2IMPDH1ALDH1A1LMNAHPGD
SCHEMBL12300659 0.89 IMPDH2 (0.85) IMPDH2IMPDH1ALDH1A1LMNAHPGD
SCHEMBL14072054 0.88 IMPDH2 (0.81) IMPDH2IMPDH1ALDH1A1LMNAHPGD
SCHEMBL18538602 0.88 IMPDH2 (0.85) IMPDH2IMPDH1ALDH1A1LMNAHPGD
SCHEMBL14749220 0.87 IMPDH2 (0.83) IMPDH2IMPDH1ALDH1A1LMNAHPGD
SCHEMBL1152477 0.86 IMPDH2 (1.00) IMPDH2IMPDH1ALDH1A1LMNAHPGD
SCHEMBL29463203 0.86 IMPDH2 (1.00) IMPDH2IMPDH1ALDH1A1LMNAHPGD
SCHEMBL1375645 0.86 IMPDH2 (1.00) IMPDH2IMPDH1ALDH1A1LMNAHPGD
SCHEMBL24420499 0.85 IMPDH2 (0.86) IMPDH2IMPDH1ALDH1A1LMNAHPGD
SCHEMBL1152322 0.84 ALDH1A1 (0.87) IMPDH2IMPDH1ALDH1A1LMNAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-7470724-B2 Phosphonate compounds having immuno-modulatory activity GILEAD SCIENCES, INC. (US) 2008-12-30 — — US disclosed
US-7452901-B2 Anti-cancer phosphonate analogs GILEAD SCIENCES, INC. (US) 2008-11-18 — — US disclosed
US-7432261-B2 Anti-inflammatory phosphonate compounds GILEAD SCIENCES, INC. (US) 2008-10-07 — — US disclosed
US-7427636-B2 Inosine monophosphate dehydrogenase inhibitory phosphonate compounds GILEAD SCIENCES, INC. (US) 2008-09-23 — — 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 (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-20090227543-A1 PHOSPHONATE COMPOUNDS HAVING IMMUNO-MODULATORY ACTIVITY PHOSPHO1, NFATC1, IFNG IMPDH2 464/4885IMPDH1 421/4885ALDH1A1 4028/4885
US-20090275535-A1 ANTIVIRAL PHOSPHONATE ANALOGS TYMP, ITPA, PNP IMPDH2 246/4885IMPDH1 160/4885ALDH1A1 4754/4885
US-20090247488-A1 ANTI-INFLAMMATORY PHOSPHONATE COMPOUNDS PHOSPHO1, TNF, PTGES IMPDH2 2628/4885IMPDH1 2648/4885ALDH1A1 3467/4885
US-20100022467-A1 ANTI-CANCER PHOSPHONATE ANALOGS PIK3CA, PHOSPHO1, PTEN IMPDH2 1980/4885IMPDH1 1660/4885ALDH1A1 3678/4885

“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.

Send feedback