SCHEMBL1668569

SCHEMBL1668569

O=C(O)C(O)c1cc(F)ccc1F

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CES2 O00748 6/20 0.66
CES1 P23141 6/20 0.66
CA3 P07451 1/20 0.40
CA6 P23280 1/20 0.40
CA5A P35218 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
CA5B Q9Y2D0 1/20 0.40
PSEN1 P49768 3/20 0.39
PSEN2 P49810 3/20 0.39
APH1B Q8WW43 3/20 0.39
NCSTN Q92542 3/20 0.39
APH1A Q96BI3 3/20 0.39
PSENEN Q9NZ42 3/20 0.39
LMNA P02545 2/20 0.39
MAPK1 P28482 1/20 0.39
KEAP1 Q14145 1/20 0.37

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
SCHEMBL1668573 1.00 CES2 (0.66) CES2CES1CA3CA6CA5A
SCHEMBL31736255 1.00 CES2 (0.66) CES2CES1CA3CA6CA5A
SCHEMBL13738918 0.93 CES2 (0.58) CES2CES1CA3CA6CA5A
SCHEMBL1671151 0.84 CES2 (0.66) CES2CES1LMNAMAPK1KEAP1
SCHEMBL1671155 0.84 CES2 (0.66) CES2CES1LMNAMAPK1KEAP1
SCHEMBL29658750 0.84 CES2 (0.66) CES2CES1LMNAMAPK1KEAP1
SCHEMBL23973184 0.82 CES2 (0.46) CES2CES1LMNAMAPK1
SCHEMBL31435516 0.82 CES2 (0.46) CES2CES1LMNAMAPK1
SCHEMBL13051095 0.82 CES2 (0.46) CES2CES1CA3CA6CA5A
SCHEMBL16681214 0.82 CES2 (0.53) CES2CES1CA3CA6CA5A

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
EP-2485678-A1 COFERONS AND METHODS OF MAKING AND USING THEM Cornell University (US) 2012-08-15 EP claimed
WO-2011043817-A1 COFERONS AND METHODS OF MAKING AND USING THEM CORNELL UNIVERSITY (US) 2011-04-14 WO claimed
US-9771345-B2 Coferons and methods of making and using them CORNELL UNIVERSITY (US) 2017-09-26 US disclosed
US-20120295874-A1 COFERONS AND METHODS OF MAKING AND USING THEM CORNELL UNIVERSITY (US) 2012-11-22 US disclosed
EP-2485678-A1 COFERONS AND METHODS OF MAKING AND USING THEM Cornell University (US) 2012-08-15 EP disclosed
US-8236805-B2 Substituted piperazines as CB1 antagonists INTERVET INC. (US) 2012-08-07 US disclosed
US-8236805-B2 Substituted piperazines as CB1 antagonists INTERVET INC. (US) 2012-08-07 US disclosed
WO-2011043817-A1 COFERONS AND METHODS OF MAKING AND USING THEM CORNELL UNIVERSITY (US) 2011-04-14 WO disclosed
US-7700597-B2 Substituted piperazines as CB1 antagonists SCHERING CORPORATION (US) 2010-04-20 US disclosed
US-7700597-B2 Substituted piperazines as CB1 antagonists SCHERING CORPORATION (US) 2010-04-20 US disclosed
US-20100029607-A1 Substituted Piperazines as CB1 Antagonists SCHERING CORPORATION 2010-02-04 US disclosed
US-20100029607-A1 Substituted Piperazines as CB1 Antagonists SCHERING CORPORATION 2010-02-04 US disclosed
US-6495522-B1 PREVENTING APOPTOTIC CELL DEATH IN WHICH THE LOSS OF CELLS, TISSUES OR ENTIRE ORGANS OCCURS CYTOVIA, INC. 2002-12-17 US disclosed
EP-1212295-A1 SUBSTITUTED $g(a)-HYDROXY ACID CASPASE INHIBITORS AND THE USE THEREOF Cytovia, Inc. (US) 2002-06-12 EP disclosed
WO-2001016093-A1 SUBSTITUTED α-HYDROXY ACID CASPASE INHIBITORS AND THE USE THEREOF CYTOVIA, INC. (US) 2001-03-08 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 (2 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-20120295874-A1 COFERONS AND METHODS OF MAKING AND USING THEM MYOF, FTH1, HCCS CES2 941/4885CES1 2775/4885CA3 1818/4885
US-20100029607-A1 Substituted Piperazines as CB1 Antagonists CNR1, CNR2, GPR119 CES2 63/4885CES1 51/4885CA3 3896/4885

“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.