Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL562106

CCCCCn1c2nc(Br)[nH]c2c(=O)n2c(CCCc3nc(-c4cccnc4)no3)nnc12.O=C(O)C(F)(F)F

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 1/20 0.46
HDAC1 Q13547 3/20 0.40
HDAC2 Q92769 3/20 0.40
HDAC8 Q9BY41 2/20 0.40
HRH3 Q9Y5N1 1/20 0.39
MAPK1 P28482 3/20 0.38
HTT P42858 2/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
LMNA P02545 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
ADORA2B P29275 4/20 0.36
ADORA1 P30542 3/20 0.36
ADORA3 P0DMS8 2/20 0.36
ADORA2A P29274 2/20 0.36
APLNR P35414 1/20 0.35
ALDH1A1 P00352 1/20 0.35

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
Trifluoroacetic Acid SCHEMBL562727 0.97 PPARA (0.45) PPARAHDAC1HDAC2HDAC8HRH3
SCHEMBL2530754 0.94 PPARA (0.52) PPARAHDAC1HDAC2HDAC8HRH3
Trifluoroacetic Acid SCHEMBL563552 0.92 ADORA2B (0.39) PPARAHDAC1HDAC2HDAC8ADORA2B
SCHEMBL10184878 0.90 PPARA (0.51) PPARAHDAC1HDAC2HDAC8HRH3
Trifluoroacetic Acid SCHEMBL563429 0.90 ADORA2B (0.35) HDAC1HDAC2HDAC8SMN1; SMN2ADORA2B
Trifluoroacetic Acid SCHEMBL562818 0.89 ADAMTS4 (0.39) PPARAADORA2BADORA1ADORA3ADORA2A
Trifluoroacetic Acid SCHEMBL563145 0.88 ADORA2B (0.39) HDAC1HDAC2HDAC8ADORA2BADORA1
Trifluoroacetic Acid SCHEMBL562010 0.88 SMN1; SMN2 (0.39) HDAC1HDAC2HDAC8HTTSMN1; SMN2
Trifluoroacetic Acid SCHEMBL563327 0.88 ADORA2B (0.38) HDAC1HDAC2HDAC8ADORA2BADORA1
Trifluoroacetic Acid SCHEMBL561953 0.87 ADORA2B (0.36) PPARAHTTSMN1; SMN2NPC1RAB9A

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 PPARA 156/4885HDAC1 4102/4885HDAC2 3753/4885
US-20120035172-A1 Purinone Derivatives as HM74A Agonists GPR84, P2RY1, ADRA1A PPARA 156/4885HDAC1 4102/4885HDAC2 3753/4885
US-20090286774-A1 PURINONE DERIVATIVES AS HM74A AGONISTS GPR84, P2RY1, ADRA1A PPARA 156/4885HDAC1 4102/4885HDAC2 3753/4885
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 PPARA 56/4885HDAC1 1600/4885HDAC2 1994/4885

“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.