Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL5773443

CN1CCC(N(C)C(=O)CCc2cnoc2-c2cccc(Cl)c2)CC1.O=C(O)C(F)(F)F

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CYP3A4 P08684 1/20 0.41
CHRM1 P11229 1/20 0.39
CCR5 P51681 2/20 0.39
POLB P06746 2/20 0.39
MCHR1 Q99705 3/20 0.38
HTT P42858 1/20 0.38
NOS3 P29474 1/20 0.38
NOS1 P29475 1/20 0.38
NOS2 P35228 1/20 0.38
KMT2A Q03164 2/20 0.37
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
ALDH1A1 P00352 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
MEN1 O00255 1/20 0.35
CHRM3 P20309 2/20 0.35
HDAC1 Q13547 1/20 0.35

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 SCHEMBL5772282 0.89 LMNA (0.39) LMNAL3MBTL1CYP3A4CCR5POLB
Trifluoroacetic Acid SCHEMBL5776131 0.85 LMNA (0.42) LMNAL3MBTL1CYP3A4CCR5POLB
Trifluoroacetic Acid SCHEMBL5773114 0.85 LMNA (0.41) LMNAL3MBTL1CYP3A4CCR5POLB
Trifluoroacetic Acid SCHEMBL5776922 0.81 MCHR1 (0.43) LMNAL3MBTL1CYP3A4CCR5POLB
Trifluoroacetic Acid SCHEMBL5774584 0.75 MEN1 (0.44) CCR5MCHR1KMT2AMEN1CHRM3
SCHEMBL5773615 0.75 RXRA (0.56)
Trifluoroacetic Acid SCHEMBL5771806 0.72 POLB (0.47) POLBKMT2AALDH1A1MEN1
SCHEMBL5773832 0.71 SMN1; SMN2 (0.41) LMNAKMT2AALDH1A1NPC1RAB9A
SCHEMBL5774144 0.71 ENPP2 (0.42) LMNANPC1RAB9A
SCHEMBL5772977 0.69 VEGFA (0.43) KMT2AMEN1

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 LMNA 2770/4885L3MBTL1 2718/4885CYP3A4 39/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 LMNA 2605/4885L3MBTL1 1898/4885CYP3A4 76/4885

“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.