Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL5774863

CC1CCCCN1CCCNC(=O)CCc1cnoc1-c1ccc(C(F)(F)F)cc1.O=C(O)C(F)(F)F

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.43
KDM4E B2RXH2 2/20 0.43
HRH3 Q9Y5N1 5/20 0.40
TSHR P16473 2/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KMT2A Q03164 2/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2C19 P33261 2/20 0.39
MEN1 O00255 1/20 0.39
CYP3A4 P08684 1/20 0.39
THRB P10828 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CCR2 P41597 1/20 0.39
TRPV1 Q8NER1 1/20 0.39
LMNA P02545 1/20 0.38
ALDH1A1 P00352 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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 SCHEMBL5773422 0.93 HSD17B10 (0.43) HSD17B10KDM4EHRH3TSHRHTT
SCHEMBL5774868 0.81 TRPV1 (0.38) KDM4EHRH3TRPV1ALDH1A1
Trifluoroacetic Acid SCHEMBL5772663 0.79 IDE (0.49) SMN1; SMN2CYP2D6CYP2C19CYP3A4CYP1A2
Trifluoroacetic Acid SCHEMBL5776657 0.77 MAPT (0.42) TSHRSMN1; SMN2TRPV1
Trifluoroacetic Acid SCHEMBL5774050 0.77 TRPV1 (0.43) HTTTRPV1LMNAALDH1A1
Trifluoroacetic Acid SCHEMBL5773355 0.77 TSHR (0.50) KDM4ETSHRHTTSMN1; SMN2KMT2A
Trifluoroacetic Acid SCHEMBL5773774 0.76 TSHR (0.41) KDM4EHRH3TSHRHTTSMN1; SMN2
Trifluoroacetic Acid SCHEMBL5772750 0.76 MAPT (0.40) TSHRHTTSMN1; SMN2TRPV1LMNA
Trifluoroacetic Acid SCHEMBL5775717 0.76 GSK3B (0.44) SMN1; SMN2KMT2ACYP2D6CYP2C19MEN1
Trifluoroacetic Acid SCHEMBL5775554 0.76 HDAC4 (0.43) HSD17B10KDM4ETSHRSMN1; SMN2KMT2A

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 HSD17B10 305/4885KDM4E 3953/4885HRH3 270/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 HSD17B10 194/4885KDM4E 3347/4885HRH3 632/4885

“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.