Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL5771823

O=C(CCc1cnoc1-c1ccc(C(F)(F)F)cc1)NC1CCN(Cc2ccccc2)CC1.O=C(O)C(F)(F)F

nearest known ligand 0.58

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 9/20 0.58
TSHR P16473 1/20 0.53
HTT P42858 1/20 0.53
ATM Q13315 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
DRD2 P14416 1/20 0.51
DRD4 P21917 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
BCHE P06276 2/20 0.49
ACHE P22303 2/20 0.49
SLC6A5 Q9Y345 1/20 0.49
BACE1 P56817 1/20 0.47
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
UBE2M P61081 1/20 0.46
DCUN1D1 Q96GG9 1/20 0.46
CHRM4 P08173 1/20 0.46

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 SCHEMBL5773475 0.95 DRD4 (0.58) SIGMAR1TSHRHTTATMSMN1; SMN2
Trifluoroacetic Acid SCHEMBL5771830 0.88 DRD2 (0.54) SIGMAR1TSHRHTTATMSMN1; SMN2
Trifluoroacetic Acid SCHEMBL5774450 0.80 HTT (0.40) SIGMAR1TSHRHTTATMSMN1; SMN2
SCHEMBL5771825 0.79 KCNH2 (0.47) SIGMAR1DRD2DRD4BCHEACHE
Trifluoroacetic Acid SCHEMBL5776133 0.78 HTT (0.39) HTT
SCHEMBL5773476 0.76 DRD2 (0.46) SIGMAR1DRD2DRD4BCHEACHE
Trifluoroacetic Acid SCHEMBL5776822 0.76 DPP8 (0.50) TSHRHTT
Trifluoroacetic Acid SCHEMBL5774584 0.75 MEN1 (0.44) DRD2DRD4ACHECHRM4
Trifluoroacetic Acid SCHEMBL5773674 0.75 OPRM1 (0.47) DRD2DRD4UBE2MDCUN1D1
Trifluoroacetic Acid SCHEMBL5775554 0.75 HDAC4 (0.43) TSHRSMN1; 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 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 SIGMAR1 653/4885TSHR 534/4885HTT 4375/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 SIGMAR1 874/4885TSHR 583/4885HTT 3773/4885

“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.