Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL5777437

CN(C)CCNC(=O)CCc1cnoc1-c1ccc(F)cc1.O=C(O)C(F)(F)F

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 2/20 0.41
KCNH2 Q12809 1/20 0.40
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
MAPT P10636 2/20 0.37
MAPK1 P28482 1/20 0.36
HPGD P15428 3/20 0.36
TSHR P16473 2/20 0.36
HTT P42858 2/20 0.35
ATM Q13315 2/20 0.35
LMNA P02545 4/20 0.34
USP2 O75604 1/20 0.34
ALDH1A1 P00352 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALOX15 P16050 1/20 0.33

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 SCHEMBL5776657 0.91 MAPT (0.42) HDAC4HDAC1HDAC6MAPTHPGD
Trifluoroacetic Acid SCHEMBL5775794 0.90 KCNH2 (0.38) ACKR3KCNH2MAPTHPGDTSHR
Trifluoroacetic Acid SCHEMBL5774893 0.87 GAA (0.47) ACKR3KCNH2HDAC4HDAC6MAPT
Trifluoroacetic Acid SCHEMBL5774082 0.86 ACKR3 (0.42) ACKR3KCNH2HDAC4HDAC1HDAC6
Trifluoroacetic Acid SCHEMBL5775527 0.86 L3MBTL1 (0.36) HDAC4HPGDTSHRHTTLMNA
Trifluoroacetic Acid SCHEMBL5777271 0.86 GAA (0.37) ACKR3KCNH2HDAC6MAPTMAPK1
Trifluoroacetic Acid SCHEMBL5774844 0.84 HDAC4 (0.40) KCNH2HDAC4HDAC1HDAC6HPGD
Trifluoroacetic Acid SCHEMBL5770496 0.84 HDAC4 (0.36) HDAC4TSHRALDH1A1
Trifluoroacetic Acid SCHEMBL5773568 0.83 EPHX2 (0.52) KCNH2HPGD
Trifluoroacetic Acid SCHEMBL5774671 0.83 MAPT (0.54) KCNH2MAPTHPGDTSHRHTT

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 ACKR3 542/4885KCNH2 1149/4885HDAC4 434/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 ACKR3 1331/4885KCNH2 834/4885HDAC4 497/4885

“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.