Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3976871

NCCCc1cc2c3c(c1)c(=O)c(C(=O)O)cn3CCC2.O=C(O)C(F)(F)F

nearest known ligand 0.38

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.38
ADRA2B P18089 1/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
CYP1A2 P05177 1/20 0.37
ALDH1A1 P00352 5/20 0.37
HPGD P15428 3/20 0.37
HSD17B10 Q99714 3/20 0.37
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
POLB P06746 1/20 0.34
HSP90AA1 P07900 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
MTNR1A P48039 5/20 0.34
MTNR1B P49286 5/20 0.34
DRD3 P35462 1/20 0.33
GSK3B P49841 1/20 0.33
LMNA P02545 1/20 0.33
LIPG Q9Y5X9 1/20 0.32
HRH2 P25021 1/20 0.32

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 SCHEMBL4164839 0.85 KDM4E (0.35) KDM4EADRA2BMAPK1SMN1; SMN2CYP1A2
Trifluoroacetic Acid SCHEMBL4146945 0.85 KDM4E (0.39) KDM4EADRA2BMAPK1SMN1; SMN2CYP1A2
Trifluoroacetic Acid SCHEMBL4183630 0.84 KDM4E (0.34) KDM4EADRA2BMAPK1CYP1A2ALDH1A1
SCHEMBL4175956 0.81 KDM4E (0.37) KDM4EADRA2BMAPK1SMN1; SMN2CYP1A2
Trifluoroacetic Acid SCHEMBL4175924 0.78 KDM4E (0.42) KDM4ESMN1; SMN2CYP1A2ALDH1A1HPGD
Trifluoroacetic Acid SCHEMBL4172149 0.77 KDM4E (0.35) KDM4EADRA2BMAPK1SMN1; SMN2CYP1A2
SCHEMBL3975810 0.77 MTNR1A (0.41) KDM4ESMN1; SMN2CYP1A2ALDH1A1MTNR1A
Trifluoroacetic Acid SCHEMBL4125561 0.75 KDM4E (0.57) KDM4ESMN1; SMN2CYP1A2ALDH1A1HPGD
Trifluoroacetic Acid SCHEMBL4125556 0.75 KDM4E (0.57) KDM4ESMN1; SMN2CYP1A2ALDH1A1HPGD
Trifluoroacetic Acid SCHEMBL5264108 0.75 KDM4E (0.57) KDM4ESMN1; SMN2CYP1A2ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7569550-B2 14 and 15 membered ring compounds GLAXO GROUP LIMITED (GB) 2009-08-04 US disclosed
US-20090062218-A1 MACROLONE COMPOUNDS GLAXO GROUP LIMITED (GB) 2009-03-05 US disclosed
US-20070293472-A1 Novel 14 and 15 Membered Ring Compounds GLAXO GROUP LIMITED (GB) 2007-12-20 US disclosed
US-20070185117-A1 Novel 14 and 15 membrered ring compounds GLAXO GROUP LIMITED (GB) 2007-08-09 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 (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-20070185117-A1 Novel 14 and 15 membrered ring compounds CYP51A1, LSS, IL17A KDM4E 3840/4885ADRA2B 3996/4885MAPK1 2826/4885
US-20070293472-A1 Novel 14 and 15 Membered Ring Compounds IL17A, CYP51A1, IL15 KDM4E 3390/4885ADRA2B 4568/4885MAPK1 3757/4885
US-20090062218-A1 MACROLONE COMPOUNDS CYP51A1, MRPL21, MYD88 KDM4E 3897/4885ADRA2B 2901/4885MAPK1 1945/4885

“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.