Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL5771830

O=C(CCc1cnoc1-c1ccc(F)cc1)NC1CCN(Cc2ccccc2)C1.O=C(O)C(F)(F)F

nearest known ligand 0.54

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.54
DRD4 P21917 5/20 0.54
SIGMAR1 Q99720 7/20 0.48
TSHR P16473 1/20 0.48
HTT P42858 1/20 0.48
ATM Q13315 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HDAC3 O15379 1/20 0.48
HDAC4 P56524 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC9 Q9UKV0 1/20 0.48
HDAC5 Q9UQL6 1/20 0.48
NCOR2 Q9Y618 1/20 0.48
CCR3 P51677 1/20 0.47
TDP1 Q9NUW8 1/20 0.46
CACNA1G O43497 1/20 0.46
BCHE P06276 1/20 0.45
ACHE P22303 1/20 0.45
CCR2 P41597 1/20 0.44
SLC6A12 P48065 1/20 0.44

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 0.93 DRD4 (0.58) DRD2DRD4SIGMAR1TSHRHTT
Trifluoroacetic Acid SCHEMBL5771823 0.88 SIGMAR1 (0.58) DRD2DRD4SIGMAR1TSHRHTT
Trifluoroacetic Acid SCHEMBL5774450 0.84 HTT (0.40) SIGMAR1TSHRHTTATMSMN1; SMN2
Trifluoroacetic Acid SCHEMBL5774584 0.83 MEN1 (0.44) DRD2DRD4HDAC3HDAC4HDAC7
Trifluoroacetic Acid SCHEMBL5773674 0.82 OPRM1 (0.47) DRD2DRD4TMEM97
Trifluoroacetic Acid SCHEMBL5776822 0.81 DPP8 (0.50) TSHRHTT
SCHEMBL5774126 0.78 MEN1 (0.43) TSHRHTTSMN1; SMN2TDP1
SCHEMBL5771833 0.78 DRD2 (0.42) DRD2DRD4HDAC3HDAC4HDAC7
SCHEMBL5774218 0.77 OPRM1 (0.50) DRD2DRD4TMEM97
Trifluoroacetic Acid SCHEMBL5772877 0.76 HTT (0.39) HTT

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 DRD2 2788/4885DRD4 2268/4885SIGMAR1 653/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 DRD2 2833/4885DRD4 2538/4885SIGMAR1 874/4885

“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.