Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL322111

NCCNC(=O)Cc1ccccc1.O=C(O)C(F)(F)F

nearest known ligand 0.55

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.55
GAA P10253 2/20 0.55
ATM Q13315 1/20 0.54
TRPV1 Q8NER1 2/20 0.53
CNR1 P21554 1/20 0.53
ALDH1A1 P00352 6/20 0.51
KCNH2 Q12809 1/20 0.51
CES1 P23141 1/20 0.50
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA5A P35218 1/20 0.49
CA7 P43166 1/20 0.49
CA5B Q9Y2D0 1/20 0.49
RAB9A P51151 1/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
LTA4H P09960 2/20 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
SCHEMBL4528693 0.90 HPGD (0.66) HPGDGAAATMTRPV1CNR1
Ammonia Solution, Strong SCHEMBL9177723 0.89 HPGD (0.64) HPGDGAAATMTRPV1CNR1
Hydrochloric Acid SCHEMBL5023736 0.89 HPGD (0.64) HPGDGAAATMTRPV1CNR1
Trifluoroacetic Acid SCHEMBL4946654 0.85 KDM4E (0.56) HPGDGAAKCNH2RAB9AMEN1
SCHEMBL11288372 0.84 HPGD (0.58) HPGDGAAATMTRPV1CNR1
SCHEMBL12081800 0.81 HPGD (0.53) HPGDGAAATMTRPV1CNR1
Trifluoroacetic Acid SCHEMBL29834831 0.80 CTSS (0.45) ALDH1A1CA1CA2RAB9AMEN1
SCHEMBL2818522 0.80 HPGD (0.72) HPGDGAAATMTRPV1CNR1
Trifluoroacetic Acid SCHEMBL2213601 0.80 HDAC3 (0.57) ALDH1A1RAB9ASMN1; SMN2HDAC8HDAC6
Hydrochloric Acid SCHEMBL5015573 0.79 HPGD (0.70) HPGDGAAATMTRPV1CNR1

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-20130261178-A1 PHENOXYPROPANOL DERIVATIVES AND THEIR USE IN TREATING CARDIAC AND CARDIOVASCULAR DISEASES MISTRY SHAILESH (GB) 2013-10-03 US disclosed
EP-2590937-A1 PHENOXYPROPANOL DERIVATIVES AND THEIR USE IN TREATING CARDIAC AND CARDIOVASCULAR DISEASES The University Of Nottingham (GB) 2013-05-15 EP disclosed
WO-2012004549-A1 PHENOXYPROPANOL DERIVATIVES AND THEIR USE IN TREATING CARDIAC AND CARDIOVASCULAR DISEASES THE UNIVERSITY OF NOTTINGHAM (GB) 2012-01-12 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 (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-20130261178-A1 PHENOXYPROPANOL DERIVATIVES AND THEIR USE IN TREATING CARDIAC AND CARDIOVASCULAR DISEASES NR3C2, NPR3, ADRB3 HPGD 2482/4885GAA 4255/4885ATM 4509/4885

“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.