Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL761835

Nc1cccn(CC(=O)O)c1=O.O=C(O)C(F)(F)F

nearest known ligand 0.55

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ELANE P08246 6/20 0.55
PARP1 P09874 1/20 0.43
KMT2A Q03164 3/20 0.42
ALDH1A1 P00352 2/20 0.42
MAPT P10636 2/20 0.42
MEN1 O00255 2/20 0.42
LMNA P02545 1/20 0.42
ALOX12 P18054 1/20 0.42
RECQL P46063 1/20 0.42
KDM4E B2RXH2 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ATM Q13315 1/20 0.36
POLB P06746 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36

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
SCHEMBL197253 0.91 ELANE (0.49) ELANEPARP1KMT2AALDH1A1MAPT
SCHEMBL761836 0.79 ELANE (0.53) ELANEPARP1ALDH1A1MAPTKDM4E
SCHEMBL7021949 0.77 ELANE (0.49) ELANEPARP1KMT2AALDH1A1MAPT
SCHEMBL4591850 0.76 MAPT (0.63) ELANEKMT2AALDH1A1MAPTMEN1
SCHEMBL6558119 0.74 ELANE (0.65) ELANE
SCHEMBL13075504 0.74 ELANE (0.46) ELANEPARP1KMT2AALDH1A1MAPT
SCHEMBL3911656 0.73 ALDH1A1 (0.50) ELANEALDH1A1MAPTLMNAKDM4E
SCHEMBL25530737 0.72 ELANE (0.45) ELANEPARP1KMT2AALDH1A1MAPT
SCHEMBL3724946 0.72 ELANE (0.48) ELANEPARP1ALDH1A1SMN1; SMN2
SCHEMBL8649103 0.72 ELANE (0.51) ELANEKMT2AALDH1A1KDM4ESMN1; SMN2

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-20120053345-A1 Indazole Compounds ABBOTT LABORATORIES (US) 2012-03-01 US disclosed
US-8008481-B2 Indazole compounds ABBVIE INC. 2011-08-30 US disclosed
US-20070282101-A1 Indazole compounds ABBVIE INC. 2007-12-06 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-20070282101-A1 Indazole compounds CYP3A43, CYP3A7, UGT1A1 ELANE 978/4885PARP1 1358/4885KMT2A 3965/4885
US-20120053345-A1 Indazole Compounds CYP3A43, CYP3A7, UGT1A1 ELANE 978/4885PARP1 1358/4885KMT2A 3965/4885

“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.