Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL563520

CCCCCn1c2nc(Br)[nH]c2c(=O)n2c(CCNC(=O)c3cccnc3)nnc12.O=C(O)C(F)(F)F

nearest known ligand 0.38

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.38
ADORA1 P30542 5/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 2/20 0.36
EPHX2 P34913 1/20 0.36
HTR1A P08908 1/20 0.35
HTR2A P28223 1/20 0.35
DRD3 P35462 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL2523024 0.95 TP53 (0.40) TP53ADORA1RAB9ASMN1; SMN2MEN1
Trifluoroacetic Acid SCHEMBL563343 0.91 TP53 (0.40) TP53ADORA1SMN1; SMN2MEN1KMT2A
SCHEMBL563194 0.88 ADORA1 (0.47) TP53ADORA1SMN1; SMN2MEN1KMT2A
Trifluoroacetic Acid SCHEMBL562581 0.88 TP53 (0.33) TP53ADORA1SMN1; SMN2MEN1KMT2A
Trifluoroacetic Acid SCHEMBL562306 0.87 RXFP1 (0.37) ADORA1SMN1; SMN2ALDH1A1GAA
Trifluoroacetic Acid SCHEMBL562338 0.87 TP53 (0.38) TP53ADORA1SMN1; SMN2MEN1KMT2A
Trifluoroacetic Acid SCHEMBL562279 0.86 TP53 (0.37) TP53ADORA1SMN1; SMN2MEN1KMT2A
SCHEMBL2528392 0.86 NAAA (0.43) TP53ADORA1SMN1; SMN2MEN1KMT2A
Trifluoroacetic Acid SCHEMBL562403 0.83 ADORA2A (0.35) ADORA1SMN1; SMN2ALDH1A1KDM4EGAA
Trifluoroacetic Acid SCHEMBL562727 0.83 PPARA (0.45) ADORA1RAB9ASMN1; SMN2KMT2ANPC1

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 TP53 2735/4885ADORA1 39/4885RAB9A 579/4885
US-20120035172-A1 Purinone Derivatives as HM74A Agonists GPR84, P2RY1, ADRA1A TP53 2735/4885ADORA1 39/4885RAB9A 579/4885
US-20090286774-A1 PURINONE DERIVATIVES AS HM74A AGONISTS GPR84, P2RY1, ADRA1A TP53 2735/4885ADORA1 39/4885RAB9A 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 TP53 3114/4885ADORA1 50/4885RAB9A 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.