Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL5774450

O=C(CCc1cnoc1-c1ccc(F)cc1)NN1CCN(Cc2ccccc2)CC1.O=C(O)C(F)(F)F

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.40
MAPK1 P28482 2/20 0.40
TSHR P16473 2/20 0.40
USP2 O75604 1/20 0.40
LMNA P02545 1/20 0.40
GPR6 P46095 1/20 0.40
MCHR1 Q99705 1/20 0.39
DPP8 Q6V1X1 2/20 0.39
DPP7 Q9UHL4 1/20 0.39
CCR3 P51677 1/20 0.39
CHRM4 P08173 1/20 0.39
SIGMAR1 Q99720 2/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
ATM Q13315 1/20 0.38
FAAH O00519 1/20 0.38
PRKAA2 P54646 1/20 0.38
PRCP P42785 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 SCHEMBL5776822 0.88 DPP8 (0.50) HTTTSHRDPP8DPP7PRKAA2
Trifluoroacetic Acid SCHEMBL5771830 0.84 DRD2 (0.54) HTTTSHRMCHR1CCR3SIGMAR1
Trifluoroacetic Acid SCHEMBL5771823 0.80 SIGMAR1 (0.58) HTTTSHRCHRM4SIGMAR1SMN1; SMN2
SCHEMBL5774454 0.79 SIGMAR1 (0.41) LMNADPP8CCR3CHRM4SIGMAR1
Trifluoroacetic Acid SCHEMBL5774584 0.78 MEN1 (0.44) MCHR1CHRM4PRCP
Trifluoroacetic Acid SCHEMBL5773774 0.78 TSHR (0.41) HTTMAPK1TSHRUSP2LMNA
Trifluoroacetic Acid SCHEMBL5773674 0.77 OPRM1 (0.47) LMNA
Trifluoroacetic Acid SCHEMBL5775671 0.77 TSHR (0.41) HTTMAPK1TSHRUSP2LMNA
Trifluoroacetic Acid SCHEMBL5773475 0.77 DRD4 (0.58) HTTTSHRSIGMAR1SMN1; SMN2ATM
Trifluoroacetic Acid SCHEMBL5773355 0.77 TSHR (0.50) HTTMAPK1TSHRUSP2LMNA

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 HTT 4375/4885MAPK1 1148/4885TSHR 534/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 HTT 3773/4885MAPK1 485/4885TSHR 583/4885

“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.