Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL5773674

O=C(CCc1cnoc1-c1ccc(F)cc1)N(Cc1ccccc1)C1CCN(Cc2ccccc2)C1.O=C(O)C(F)(F)F

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 8/20 0.47
TMEM97 Q5BJF2 2/20 0.47
UBE2M P61081 3/20 0.43
DCUN1D1 Q96GG9 3/20 0.43
SLC2A1 P11166 2/20 0.42
CHRM2 P08172 2/20 0.40
CHRM3 P20309 2/20 0.40
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL5774218 0.96 OPRM1 (0.50) OPRM1TMEM97UBE2MDCUN1D1CHRM2
Trifluoroacetic Acid SCHEMBL5774584 0.90 MEN1 (0.44) OPRM1TMEM97CHRM2CHRM3DRD2
SCHEMBL5771833 0.86 DRD2 (0.42) OPRM1TMEM97UBE2MDCUN1D1DRD2
Trifluoroacetic Acid SCHEMBL5771830 0.82 DRD2 (0.54) TMEM97DRD2DRD4
SCHEMBL5773476 0.80 DRD2 (0.46) OPRM1UBE2MDCUN1D1DRD2DRD4
Trifluoroacetic Acid SCHEMBL5776822 0.79 DPP8 (0.50)
Trifluoroacetic Acid SCHEMBL5774450 0.77 HTT (0.40) LMNA
Trifluoroacetic Acid SCHEMBL5773475 0.77 DRD4 (0.58) DRD2DRD4
Trifluoroacetic Acid SCHEMBL5776131 0.76 LMNA (0.42) LMNA
SCHEMBL5771825 0.75 KCNH2 (0.47) OPRM1UBE2MDCUN1D1CHRM2CHRM3

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 OPRM1 463/4885TMEM97 593/4885UBE2M 4238/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 OPRM1 1339/4885TMEM97 805/4885UBE2M 4544/4885

“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.