Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL562037

CCCCCn1c2nc(Br)[nH]c2c(=O)n2c(CCc3nc(Cc4ccccn4)no3)nnc12.O=C(O)C(F)(F)F

nearest known ligand 0.34

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 2/20 0.34
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34
ADORA2A P29274 5/20 0.33
RXFP1 Q9HBX9 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
PPARG P37231 3/20 0.31
HTT P42858 1/20 0.31
PCK1 P35558 1/20 0.31
ADORA2B P29275 3/20 0.31
ADORA1 P30542 2/20 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
SCHEMBL2525503 0.94 ALDH1A1 (0.36) ALDH1A1KDM4EPOLBGAAADORA2A
Trifluoroacetic Acid SCHEMBL562778 0.88 APLNR (0.38) ALDH1A1ADORA2ASMN1; SMN2HTTADORA2B
Trifluoroacetic Acid SCHEMBL562236 0.88 PPARG (0.33) ALDH1A1ADORA2ARXFP1SMN1; SMN2PPARG
Trifluoroacetic Acid SCHEMBL563370 0.85 ALDH1A1 (0.35) ALDH1A1ADORA2ASMN1; SMN2PCK1ADORA2B
SCHEMBL562025 0.85 PPARG (0.41) ALDH1A1ADORA2ASMN1; SMN2PPARG
Trifluoroacetic Acid SCHEMBL562010 0.85 SMN1; SMN2 (0.39) ALDH1A1ADORA2ASMN1; SMN2HTTADORA2B
Trifluoroacetic Acid SCHEMBL563145 0.84 ADORA2B (0.39) ADORA2AADORA2BADORA1
SCHEMBL10183600 0.84 ADORA2B (0.38) ALDH1A1ADORA2ASMN1; SMN2PPARGPCK1
Trifluoroacetic Acid SCHEMBL563429 0.84 ADORA2B (0.35) ALDH1A1ADORA2ASMN1; SMN2ADORA2BADORA1
SCHEMBL563006 0.83 ALDH1A1 (0.36) ALDH1A1ADORA2ASMN1; SMN2PPARGPCK1

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 ALDH1A1 641/4885KDM4E 3782/4885POLB 3107/4885
US-20120035172-A1 Purinone Derivatives as HM74A Agonists GPR84, P2RY1, ADRA1A ALDH1A1 641/4885KDM4E 3782/4885POLB 3107/4885
US-20090286774-A1 PURINONE DERIVATIVES AS HM74A AGONISTS GPR84, P2RY1, ADRA1A ALDH1A1 641/4885KDM4E 3782/4885POLB 3107/4885
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 ALDH1A1 181/4885KDM4E 2319/4885POLB 2001/4885

“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.