Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL562501

CCCCCn1c2nc(Br)[nH]c2c(=O)n2c(-c3cnccn3)nnc12.O=C(O)C(F)(F)F

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 9/20 0.44
ADORA2B P29275 2/20 0.44
ALDH1A1 P00352 3/20 0.33
HPGD P15428 2/20 0.33
TSHR P16473 1/20 0.33
PCK1 P35558 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
MITF O75030 2/20 0.33
NOD1 Q9Y239 2/20 0.33
LMNA P02545 1/20 0.33
XBP1 P17861 2/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
TNF P01375 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
NOD2 Q9HC29 1/20 0.33
HTT P42858 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
ADORA1 P30542 1/20 0.33
GAA P10253 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
SCHEMBL2528169 0.92 ADORA2A (0.48) ADORA2AADORA2BALDH1A1SMN1; SMN2MITF
Trifluoroacetic Acid SCHEMBL563415 0.89 ADORA2A (0.42) ADORA2AADORA2BALDH1A1PCK1SMN1; SMN2
Trifluoroacetic Acid SCHEMBL562117 0.87 ADORA2A (0.41) ADORA2AADORA2BALDH1A1HPGDTSHR
Trifluoroacetic Acid SCHEMBL562294 0.86 ADORA2A (0.41) ADORA2AALDH1A1TSHRHTT
Trifluoroacetic Acid SCHEMBL563539 0.86 ADORA2A (0.38) ADORA2AADORA2BALDH1A1PCK1SMN1; SMN2
Trifluoroacetic Acid SCHEMBL563148 0.86 ADORA2A (0.40) ADORA2AADORA2BALDH1A1PCK1SMN1; SMN2
Trifluoroacetic Acid SCHEMBL563072 0.83 ADAMTS4 (0.39) ADORA2AADORA2BADORA3ADORA1
Trifluoroacetic Acid SCHEMBL561998 0.83 ADORA2A (0.38) ADORA2AADORA2BALDH1A1HPGDTSHR
Trifluoroacetic Acid SCHEMBL562818 0.83 ADAMTS4 (0.39) ADORA2AADORA2BADORA3ADORA1
Trifluoroacetic Acid SCHEMBL562497 0.81 ALDH1A1 (0.38) ADORA2AADORA2BALDH1A1HPGDTSHR

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-20140371216-A1 PURINONE DERIVATIVES AS HM74A AGONISTS INCYTE CORPORATION (US) 2014-12-18 US disclosed
US-8703783-B2 Purinone derivatives as HM74A agonists INCYTE CORPORATION (US) 2014-04-22 US disclosed
US-20120035172-A1 Purinone Derivatives as HM74A Agonists INCYTE CORPORATION (US) 2012-02-09 US disclosed
US-8039478-B2 Purinone derivatives as HM74A agonists INCYTE CORPORATION (US) 2011-10-18 US disclosed
US-20090286774-A1 PURINONE DERIVATIVES AS HM74A AGONISTS INCYTE CORPORATION (US) 2009-11-19 US disclosed
EP-2044074-A2 PURINONE DERIVATIVES AS HM74A AGONISTS Incyte Corporation (US) 2009-04-08 EP disclosed
US-7511050-B2 hydroxymethylglutaryl-coenzyme A (HMG-CoA) reductase inhibitors; avoiding adverse effects such as hepatotoxicity and cutaneous flushing; low dosage; 2-bromo-8-methyl-4-pentyl-1,4-dihydro-5H-[1,2,4]triazolo[5,1-i]purin-5-one; to treat cardiovascular disorders INCYTE CORPORATION (US) 2009-03-31 US disclosed
US-20080045554-A1 hydroxymethylglutaryl-coenzyme A (HMG-CoA) reductase inhibitors; avoiding adverse effects such as hepatotoxicity and cutaneous flushing; low dosage; 2-bromo-8-methyl-4-pentyl-1,4-dihydro-5H-[1,2,4]triazolo[5,1-i]purin-5-one; to treat cardiovascular disorders INCYTE CORPORATION (US) 2008-02-21 US disclosed
WO-2007150025-A2 PURINONE DERIVATIVES AS HM74A AGONISTS INCYTE CORPORATION (US) 2007-12-27 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-20140371216-A1 PURINONE DERIVATIVES AS HM74A AGONISTS GPR84, P2RY1, ADRA1A ADORA2A 12/4885ADORA2B 68/4885ALDH1A1 641/4885
US-20120035172-A1 Purinone Derivatives as HM74A Agonists GPR84, P2RY1, ADRA1A ADORA2A 12/4885ADORA2B 68/4885ALDH1A1 641/4885
US-20090286774-A1 PURINONE DERIVATIVES AS HM74A AGONISTS GPR84, P2RY1, ADRA1A ADORA2A 12/4885ADORA2B 68/4885ALDH1A1 641/4885
US-20080045554-A1 hydroxymethylglutaryl-coenzyme A (HMG-CoA) reductase inhibitors; avoiding adverse effects such as hepatotoxicity and cutaneous flushing; low dosage; 2-bromo-8-methyl-4-pentyl-1,4-dihydro-5H-[1,2,4]triazolo[5,1-i]purin-5-one; to treat cardiovascular disorders HMGCR, LDLR, GPBAR1 ADORA2A 24/4885ADORA2B 177/4885ALDH1A1 181/4885

“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.