Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL5772663

O=C(CCc1cnoc1-c1ccc(C(F)(F)F)cc1)NCCCn1ccnc1.O=C(O)C(F)(F)F

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IDE P14735 10/20 0.49
HDAC4 P56524 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
GSK3A P49840 1/20 0.46
GSK3B P49841 1/20 0.46
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
NPC1 O15118 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43

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 SCHEMBL5773631 0.92 POLB (0.48) IDEHDAC4HDAC6NPC1SMN1; SMN2
Trifluoroacetic Acid SCHEMBL5775717 0.82 GSK3B (0.44) GSK3BCYP1A2CYP2D6CYP2C9CYP2C19
Trifluoroacetic Acid SCHEMBL5774050 0.80 TRPV1 (0.43) HDAC6
Trifluoroacetic Acid SCHEMBL5772978 0.80 GSK3B (0.52) HDAC6GSK3BCYP1A2CYP3A4CYP2C9
SCHEMBL5772669 0.79 NOS1 (0.42) HDAC4HDAC6GSK3AGSK3BCYP1A2
Trifluoroacetic Acid SCHEMBL5773866 0.79 ALDH1A1 (0.48) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
Trifluoroacetic Acid SCHEMBL5772750 0.79 MAPT (0.40) SMN1; SMN2
Trifluoroacetic Acid SCHEMBL5776657 0.79 MAPT (0.42) HDAC4HDAC6SMN1; SMN2
Trifluoroacetic Acid SCHEMBL5775554 0.79 HDAC4 (0.43) HDAC4HDAC6CYP1A2CYP2D6CYP2C9
Trifluoroacetic Acid SCHEMBL5774863 0.79 HSD17B10 (0.43) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19

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-20060084690-A1 Isoxazole derivatives MOMOSE YU 2006-04-20 US disclosed
US-7022725-B2 Isoxazole derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-04-04 US disclosed
US-20040048908-A1 Isoxazole derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-03-11 US disclosed
EP-1340749-A1 ISOXAZOLE DERIVATIVES Takeda Chemical Industries, Ltd. (JP) 2003-09-03 EP 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-20060084690-A1 Isoxazole derivatives INSR, GPR119, INSRR IDE 26/4885HDAC4 434/4885HDAC6 1324/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 IDE 14/4885HDAC4 497/4885HDAC6 1224/4885

“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.