Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2816008

FC(F)(F)c1nccc(N2CCC3(CCNC3)CC2)n1.O=C(O)C(F)(F)F

nearest known ligand 0.49

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 8/20 0.49
HRH3 Q9Y5N1 8/20 0.47
KCNH2 Q12809 2/20 0.41
HDAC1 Q13547 2/20 0.41
LCAT P04180 2/20 0.41
RIPK1 Q13546 1/20 0.41
MEN1 O00255 1/20 0.41
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PIM1 P11309 2/20 0.40

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
SCHEMBL13131250 0.93 HRH3 (0.53) HRH4HRH3KCNH2HDAC1LCAT
Trifluoroacetic Acid SCHEMBL3917783 0.85 HRH4 (0.61) HRH4HRH3LCATCYP3A4CYP2C9
Trifluoroacetic Acid SCHEMBL5038086 0.81 HRH4 (0.58) HRH4HRH3LCATCYP3A4CYP2C9
SCHEMBL30328948 0.81 ALDH1A1 (0.48) HRH4HRH3MEN1USP2ALDH1A1
Hydrochloric Acid SCHEMBL30327833 0.80 ALDH1A1 (0.47) HRH4HRH3MEN1USP2ALDH1A1
SCHEMBL485185 0.78 RIPK1 (0.44) HRH4HRH3KCNH2LCATRIPK1
SCHEMBL2850464 0.75 HRH3 (0.59) HRH4HRH3LCATUSP2ALDH1A1
SCHEMBL13168274 0.74 HRH3 (0.57) HRH4HRH3KCNH2HDAC1MEN1
Trifluoroacetic Acid SCHEMBL26599646 0.73 HRH4 (0.63) HRH4HRH3CYP3A4CYP2C9HSD17B10
Trifluoroacetic Acid SCHEMBL5038083 0.73 HRH4 (0.52) HRH4HRH3LCATCYP2C9HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130231327-A1 Substituted Spiro-Amide Compounds GRUENENTHAL GMBH (DE) 2013-09-05 US disclosed
US-8455475-B2 Substituted spiro-amide compounds GRUENENTHAL GMBH (DE) 2013-06-04 US disclosed
US-20100249095-A1 Substituted Spiro-amide Compounds GRUENENTHAL GMBH (DE) 2010-09-30 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 (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-20130231327-A1 Substituted Spiro-Amide Compounds BDKRB1, BDKRB2, REN HRH4 47/4885HRH3 93/4885KCNH2 257/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN HRH4 47/4885HRH3 93/4885KCNH2 257/4885

“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.