Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4505010

O=C(NCC12CC3CC(CC(C3)C1)C2)c1cccc2ncccc12.O=C(O)C(F)(F)F

nearest known ligand 0.60

Full drug profile on Sugi Atlas →

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 1/20 0.53
P2RX7 Q99572 13/20 0.51
ADORA2A P29274 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL13958643 0.93 P2RX7 (0.58) NSD2P2RX7SMN1; SMN2
SCHEMBL6482241 0.85 P2RX7 (0.58) P2RX7SMN1; SMN2
SCHEMBL13972671 0.80 NSD2 (0.53) NSD2P2RX7SMN1; SMN2
SCHEMBL4506684 0.78 P2RX7 (0.62) P2RX7
SCHEMBL3458610 0.76 P2RX7 (0.68) P2RX7
SCHEMBL7576920 0.75 P2RX7 (0.55) P2RX7
SCHEMBL7572059 0.75 P2RX7 (0.60) P2RX7
SCHEMBL7572019 0.74 P2RX7 (0.62) P2RX7
Trifluoroacetic Acid SCHEMBL5431125 0.73 NSD2 (0.52) NSD2SMN1; SMN2
SCHEMBL4511152 0.73 P2RX7 (0.61) P2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090018133-A1 Novel Adamantane Derivatives FORD RHONAN 2009-01-15 US claimed
US-20050090524-A1 Novel adamantane derivatives ASTRAZENECA AB (SE) 2005-04-28 US claimed
EP-1490341-A1 NOVEL ADAMANTANE DERIVATIVES AstraZeneca AB (SE) 2004-12-29 EP claimed
WO-2003080579-A1 NOVEL ADAMANTANE DERIVATIVES ASTRAZENECA AB (SE) 2003-10-02 WO claimed
US-20090018133-A1 Novel Adamantane Derivatives FORD RHONAN 2009-01-15 US disclosed
US-20050090524-A1 Novel adamantane derivatives ASTRAZENECA AB (SE) 2005-04-28 US disclosed
EP-1490341-A1 NOVEL ADAMANTANE DERIVATIVES AstraZeneca AB (SE) 2004-12-29 EP disclosed
WO-2003080579-A1 NOVEL ADAMANTANE DERIVATIVES ASTRAZENECA AB (SE) 2003-10-02 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 (2 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-20090018133-A1 Novel Adamantane Derivatives ADRA1A, ADORA1, ADRA1D NSD2 2096/4885P2RX7 554/4885ADORA2A 7/4885
US-20050090524-A1 Novel adamantane derivatives ADRA1A, ADORA1, ADRA1D NSD2 1790/4885P2RX7 732/4885ADORA2A 9/4885

“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.