Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4119735

CCC(=O)N[C@H]1C[C@@H](n2cnc3c(NCCc4ccc(S(N)(=O)=O)cc4)nc(N4CC[C@@H](NC(=O)N[C@@H]5CCNC5)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 6)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 14/20 0.41
ADORA3 P0DMS8 11/20 0.41
HRH4 Q9H3N8 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
DNMT1 P26358 1/20 0.33
DNMT3B Q9UBC3 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
SCHEMBL4119742 0.92 ADORA3 (0.35) ADORA2AADORA3HRH4HRH3DNMT1
Trifluoroacetic Acid SCHEMBL4124585 0.89 ADORA2A (0.44) ADORA2AADORA3
Trifluoroacetic Acid SCHEMBL2091169 0.88 ADORA2A (0.41) ADORA2AADORA3HRH4HRH3
Trifluoroacetic Acid SCHEMBL1402083 0.88 ADORA2A (0.41) ADORA2AADORA3HRH4HRH3
Trifluoroacetic Acid SCHEMBL1402051 0.87 ADORA2A (0.48) ADORA2AADORA3HRH4HRH3
Trifluoroacetic Acid SCHEMBL241327 0.87 ADORA2A (0.43) ADORA2AADORA3HRH4HRH3
Trifluoroacetic Acid SCHEMBL4123164 0.87 ADORA2A (0.44) ADORA2AADORA3HRH4HRH3DNMT1
SCHEMBL4119749 0.86 ADORA3 (0.34) ADORA2AADORA3DNMT1DNMT3B
Trifluoroacetic Acid SCHEMBL241434 0.85 ADORA2A (0.53) ADORA2AADORA3HRH4HRH3
Trifluoroacetic Acid SCHEMBL1402085 0.85 ADORA2A (0.48) ADORA2AADORA3HRH4HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090099214-A1 Organic Compounds NOVARTIS AG 2009-04-16 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 (1 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-20090099214-A1 Organic Compounds CYP3A43, OXER1, OPRM1 ADORA2A 2082/4885ADORA3 554/4885HRH4 897/4885

“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.