Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL562010

CCCCCn1c2nc(Br)[nH]c2c(=O)n2c(CCCc3nc(-c4ccccn4)no3)nnc12.O=C(O)C(F)(F)F

nearest known ligand 0.39

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.39
NPC1 O15118 5/20 0.39
RAB9A P51151 4/20 0.39
ALDH1A1 P00352 3/20 0.37
NPSR1 Q6W5P4 1/20 0.37
APLNR P35414 2/20 0.36
ADORA2B P29275 6/20 0.35
ADORA1 P30542 5/20 0.35
ADORA2A P29274 3/20 0.35
AKR1B1 P15121 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HTT P42858 2/20 0.33
ADORA3 P0DMS8 2/20 0.33
HPGD P15428 2/20 0.33
ADAMTS4 O75173 1/20 0.33
ADAMTS5 Q9UNA0 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 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
Trifluoroacetic Acid SCHEMBL562778 0.97 APLNR (0.38) SMN1; SMN2NPC1RAB9AALDH1A1NPSR1
SCHEMBL2526686 0.94 SMN1; SMN2 (0.42) SMN1; SMN2NPC1RAB9AALDH1A1NPSR1
Trifluoroacetic Acid SCHEMBL563429 0.93 ADORA2B (0.35) SMN1; SMN2ALDH1A1ADORA2BADORA1ADORA2A
Trifluoroacetic Acid SCHEMBL562818 0.91 ADAMTS4 (0.39) APLNRADORA2BADORA1ADORA2AADORA3
SCHEMBL2521401 0.90 SMN1; SMN2 (0.40) SMN1; SMN2NPC1RAB9AALDH1A1NPSR1
Trifluoroacetic Acid SCHEMBL563552 0.89 ADORA2B (0.39) ADORA2BADORA1ADORA2AHDAC1HDAC2
Trifluoroacetic Acid SCHEMBL562106 0.88 PPARA (0.46) SMN1; SMN2NPC1RAB9AALDH1A1APLNR
Trifluoroacetic Acid SCHEMBL563072 0.87 ADAMTS4 (0.39) APLNRADORA2BADORA1ADORA2AADORA3
Trifluoroacetic Acid SCHEMBL563370 0.86 ALDH1A1 (0.35) SMN1; SMN2ALDH1A1ADORA2BADORA1ADORA2A
SCHEMBL2526718 0.86 ADORA2A (0.39) SMN1; SMN2ALDH1A1ADORA2BADORA1ADORA2A

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 SMN1; SMN2 1165/4885NPC1 1880/4885RAB9A 579/4885
US-20120035172-A1 Purinone Derivatives as HM74A Agonists GPR84, P2RY1, ADRA1A SMN1; SMN2 1165/4885NPC1 1880/4885RAB9A 579/4885
US-20090286774-A1 PURINONE DERIVATIVES AS HM74A AGONISTS GPR84, P2RY1, ADRA1A SMN1; SMN2 1165/4885NPC1 1880/4885RAB9A 579/4885
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 SMN1; SMN2 4478/4885NPC1 733/4885RAB9A 2219/4885

“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.