Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL562818

CCCCCn1c2nc(Br)[nH]c2c(=O)n2c(CCCc3nc(-c4cnccn4)no3)nnc12.O=C(O)C(F)(F)F

nearest known ligand 0.39

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADAMTS4 O75173 1/20 0.39
ADAMTS5 Q9UNA0 1/20 0.39
ADORA2B P29275 10/20 0.36
ADORA2A P29274 5/20 0.36
APLNR P35414 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ADORA1 P30542 6/20 0.33
PPARA Q07869 1/20 0.32
ADORA3 P0DMS8 3/20 0.32
POLB P06746 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
Trifluoroacetic Acid SCHEMBL563072 0.97 ADAMTS4 (0.39) ADAMTS4ADAMTS5ADORA2BADORA2AAPLNR
SCHEMBL2530730 0.94 ADAMTS4 (0.41) ADAMTS4ADAMTS5ADORA2BADORA2AAPLNR
Trifluoroacetic Acid SCHEMBL562010 0.91 SMN1; SMN2 (0.39) ADAMTS4ADAMTS5ADORA2BADORA2AAPLNR
SCHEMBL10183502 0.90 ADAMTS4 (0.42) ADAMTS4ADAMTS5ADORA2BADORA2AAPLNR
Trifluoroacetic Acid SCHEMBL563429 0.90 ADORA2B (0.35) ADORA2BADORA2AADORA1ADORA3
Trifluoroacetic Acid SCHEMBL562106 0.89 PPARA (0.46) ADORA2BADORA2AAPLNRADORA1PPARA
Trifluoroacetic Acid SCHEMBL563552 0.89 ADORA2B (0.39) ADORA2BADORA2AADORA1PPARAADORA3
Trifluoroacetic Acid SCHEMBL562778 0.87 APLNR (0.38) ADAMTS4ADAMTS5ADORA2BADORA2AAPLNR
Trifluoroacetic Acid SCHEMBL563103 0.86 ADORA2A (0.33) ADORA2BADORA2AADORA1ADORA3
Trifluoroacetic Acid SCHEMBL562727 0.86 PPARA (0.45) ADORA2BADORA2AAPLNRADORA1PPARA

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 ADAMTS4 4864/4885ADAMTS5 4867/4885ADORA2B 68/4885
US-20120035172-A1 Purinone Derivatives as HM74A Agonists GPR84, P2RY1, ADRA1A ADAMTS4 4864/4885ADAMTS5 4867/4885ADORA2B 68/4885
US-20090286774-A1 PURINONE DERIVATIVES AS HM74A AGONISTS GPR84, P2RY1, ADRA1A ADAMTS4 4864/4885ADAMTS5 4867/4885ADORA2B 68/4885
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 ADAMTS4 4602/4885ADAMTS5 4243/4885ADORA2B 177/4885

“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.