Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL566652

Ic1ccc2c(c1)CNC2.O=C(O)C(F)(F)F

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PNMT P11086 6/20 0.50
ADRA2A P08913 1/20 0.50
ADRA2B P18089 1/20 0.50
ADRA2C P18825 1/20 0.50
ITGB3 P05106 2/20 0.36
ITGA2B P08514 2/20 0.36
TDP2 O95551 1/20 0.36
KDM1A O60341 1/20 0.35

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
SCHEMBL2144461 0.82 PNMT (0.69) PNMTADRA2AADRA2BADRA2CTDP2
Trifluoroacetic Acid SCHEMBL382794 0.80 ITGB3 (0.36) ITGB3ITGA2BKDM1A
Trifluoroacetic Acid SCHEMBL4782632 0.78 PNMT (0.43) PNMTKDM1A
Trifluoroacetic Acid SCHEMBL5708755 0.77 KDM1A (0.49) KDM1A
Trifluoroacetic Acid SCHEMBL4237731 0.76 PNMT (0.55) PNMTKDM1A
Trifluoroacetic Acid SCHEMBL384591 0.75 PNMT (0.57) PNMTADRA2AADRA2BADRA2CKDM1A
Trifluoroacetic Acid SCHEMBL3875578 0.75 CHRNB2 (0.39) ITGB3ITGA2BKDM1A
Trifluoroacetic Acid SCHEMBL383551 0.74 NOTUM (0.47)
Trifluoroacetic Acid SCHEMBL3883763 0.73 KDM4E (0.43)
Trifluoroacetic Acid SCHEMBL31122204 0.73 ACSL1 (0.40) KDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9181182-B2 S1P receptors modulators AKAAL PHARMA PTY LTD (AU) 2015-11-10 US disclosed
US-20120034270-A1 S1P Receptors Modulators AKAAL PHARMA PTY LTD (AU) 2012-02-09 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-20120034270-A1 S1P Receptors Modulators S1PR1, S1PR5, S1PR3 PNMT 1964/4885ADRA2A 280/4885ADRA2B 323/4885

“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.