Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL244447

CCC(=O)N[C@H]1C[C@@H](n2cnc3c(N[C@@H]4CCN(Cc5ccccc5)C4)nc(N4CC[C@@H](N(C)C)C4)nc32)[C@H](O)[C@@H]1O.O=C(O)C(F)(F)F

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 11/20 0.41
ADORA3 P0DMS8 7/20 0.41
EHMT2 Q96KQ7 4/20 0.38
CYP3A4 P08684 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TP53 P04637 1/20 0.36
TSHR P16473 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
HRH4 Q9H3N8 2/20 0.36
HRH3 Q9Y5N1 2/20 0.36
CDK1 P06493 1/20 0.36
CDK5 Q00535 1/20 0.36

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 SCHEMBL242378 1.00 ADORA2A (0.41) ADORA2AADORA3EHMT2CYP3A4KDM4E
SCHEMBL242379 0.91 EHMT2 (0.38) ADORA2AADORA3EHMT2CYP3A4KDM4E
SCHEMBL244448 0.91 EHMT2 (0.38) ADORA2AADORA3EHMT2CYP3A4KDM4E
Trifluoroacetic Acid SCHEMBL242934 0.89 ADORA2A (0.41) ADORA2AADORA3HRH4HRH3
Trifluoroacetic Acid SCHEMBL244159 0.87 ADORA2A (0.44) ADORA2AADORA3HRH4HRH3CDK1
Trifluoroacetic Acid SCHEMBL244569 0.86 ADORA2A (0.57) ADORA2AADORA3HRH4HRH3
Trifluoroacetic Acid SCHEMBL242191 0.86 ADORA2A (0.43) ADORA2AADORA3HRH4HRH3
Trifluoroacetic Acid SCHEMBL242188 0.86 ADORA2A (0.43) ADORA2AADORA3HRH4HRH3
Trifluoroacetic Acid SCHEMBL243202 0.86 ADORA2A (0.43) ADORA2AADORA3HRH4HRH3
Trifluoroacetic Acid SCHEMBL241766 0.85 ADORA2A (0.44) ADORA2AADORA3

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8318750-B2 Organic compounds NOVARTIS AG (NL) 2012-11-27 US disclosed
US-8258141-B2 Organic compounds NOVARTIS AG (CH) 2012-09-04 US disclosed
EP-2013211-B1 PURINE DERIVATIVES FOR USE AS ADENOSIN A2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2012-03-14 EP disclosed
US-20120004212-A1 ORGANIC COMPOUNDS NOVARTIS AG 2012-01-05 US disclosed
US-20120004247-A1 ORGANIC COMPOUNDS NOVARTIS AG 2012-01-05 US disclosed
EP-2322525-A1 Purine derivatives for use as adenosin A2A receptor agonists Novartis AG (CH) 2011-05-18 EP disclosed
US-20100286126-A1 Organic Compounds NOVARTIS AG (CH) 2010-11-11 US 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 (3 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-20100286126-A1 Organic Compounds CYP3A43, SLCO1B3, CYP2C19 ADORA2A 2741/4885ADORA3 795/4885EHMT2 4488/4885
US-20120004212-A1 ORGANIC COMPOUNDS CYP3A43, SLCO1B3, CYP2C19 ADORA2A 2741/4885ADORA3 795/4885EHMT2 4488/4885
US-20120004247-A1 ORGANIC COMPOUNDS CYP3A43, SLCO1B3, CYP2C19 ADORA2A 2741/4885ADORA3 795/4885EHMT2 4488/4885

“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.