SCHEMBL825799

SCHEMBL825799

CC(=O)OC(=O)/C(C)=C(\C)C(=O)OC(C)=O

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.60
TSHR P16473 3/20 0.60
HSD17B10 Q99714 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
LMNA P02545 3/20 0.33
THPO P40225 1/20 0.31
FFAR3 O14843 1/20 0.31
LCK P06239 1/20 0.31
FYN P06241 1/20 0.31

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
SCHEMBL3177567 0.85 ALDH1A1 (0.69) ALDH1A1TSHRHSD17B10TDP1LMNA
SCHEMBL28011497 0.81 ALDH1A1 (0.64) ALDH1A1TSHRHSD17B10TDP1LMNA
SCHEMBL28282185 0.81 ALDH1A1 (0.64) ALDH1A1TSHRHSD17B10TDP1LMNA
SCHEMBL8836617 0.81 ALDH1A1 (0.64) ALDH1A1TSHRHSD17B10TDP1LMNA
Water SCHEMBL28479233 0.81 ALDH1A1 (0.64) ALDH1A1TSHRHSD17B10TDP1LMNA
SCHEMBL28197985 0.79 ALDH1A1 (0.60) ALDH1A1TSHRHSD17B10TDP1LMNA
SCHEMBL633928 0.79
Acetic Acid SCHEMBL29208862 0.79 ALDH1A1 (0.60) ALDH1A1TSHRHSD17B10TDP1LMNA
SCHEMBL523 0.76
SCHEMBL1331977 0.76

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8859563-B2 Bicyclic pyrimidinones and uses thereof AVEXA LIMITED (AU) 2014-10-14 US disclosed
US-20120232035-A1 Bicyclic pyrimidinones and uses thereof AVEXA LIMITED (AU) 2012-09-13 US disclosed
US-8207334-B2 Bicyclic pyrimidinones and uses thereof AVEXA LIMITED (AU) 2012-06-26 US disclosed
US-8143268-B2 Bicyclic pyrimidinones and uses thereof AVEXA LIMITED (AU) 2012-03-27 US disclosed
EP-1937678-B1 HIV INTEGRASE INHIBITORS ANGELETTI P IST RICHERCHE BIO (IT) 2011-07-27 EP disclosed
US-7939537-B2 HIV integrase inhibitors ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2011-05-10 US disclosed
EP-2114903-B1 BICYCLIC PYRIMIDINONES AND USES THEREOF AVEXA LTD (AU) 2011-01-26 EP disclosed
US-20110009366-A1 BICYCLIC PYRIMIDINONES AND USES THEREOF AVEXA LIMITED (AU) 2011-01-13 US disclosed
EP-2269992-A1 Bicyclic pyrimidinones for the treatment of viral infections Avexa Limited (AU) 2011-01-05 EP disclosed
US-20100168063-A1 BICYCLIC PYRIMIDINONES AND USES THEREOF AVEXA LIMITED (AU) 2010-07-01 US disclosed
EP-2114903-A1 BICYCLIC PYRIMIDINONES AND USES THEREOF Avexa Limited (AU) 2009-11-11 EP disclosed
US-20090221571-A1 HIV INTEGRASE INHIBITORS MSD ITALIA S.R.L. (IT) 2009-09-03 US disclosed
WO-2008077188-A1 BICYCLIC PYRIMIDINONES AND USES THEREOF AVEXA LIMITED (AU) 2008-07-03 WO disclosed
EP-1937678-A1 HIV INTEGRASE INHIBITORS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2008-07-02 EP disclosed
WO-2007039218-A1 HIV INTEGRASE INHIBITORS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P ANGELETTI SPA (IT) 2007-04-12 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 (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-20100168063-A1 BICYCLIC PYRIMIDINONES AND USES THEREOF TPMT, TYMP, DPYD ALDH1A1 337/4885TSHR 4293/4885HSD17B10 1416/4885
US-20120232035-A1 Bicyclic pyrimidinones and uses thereof TPMT, TYMP, DPYD ALDH1A1 337/4885TSHR 4293/4885HSD17B10 1416/4885
US-20110009366-A1 BICYCLIC PYRIMIDINONES AND USES THEREOF TPMT, TYMP, DPYD ALDH1A1 337/4885TSHR 4293/4885HSD17B10 1416/4885
US-20090221571-A1 HIV INTEGRASE INHIBITORS TYMP, CDK2, TYMS ALDH1A1 1847/4885TSHR 3631/4885HSD17B10 2886/4885

“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.