Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL5773532

CN1CCN(C(=O)CCc2cnoc2-c2ccc(Br)cc2)CC1.O=C(O)C(F)(F)F

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.44
PPARA Q07869 1/20 0.43
HDAC4 P56524 2/20 0.39
HDAC6 Q9UBN7 2/20 0.39
GPR183 P32249 1/20 0.37
SMN1; SMN2 Q16637 4/20 0.35
HTT P42858 3/20 0.35
LMNA P02545 3/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HPGD P15428 1/20 0.35
MAPT P10636 5/20 0.35
TSHR P16473 3/20 0.35
GAA P10253 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
CCNC P24863 1/20 0.34
CDK8 P49336 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ALDH1A1 P00352 2/20 0.33

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 SCHEMBL5776834 0.91 HTT (0.46) POLBHDAC4HDAC6SMN1; SMN2HTT
Trifluoroacetic Acid SCHEMBL5771806 0.84 POLB (0.47) POLBHDAC4HDAC6HPGDALDH1A1
Trifluoroacetic Acid SCHEMBL5773114 0.82 LMNA (0.41) POLBPPARAHDAC4HDAC6LMNA
Trifluoroacetic Acid SCHEMBL5776847 0.82 MDM2 (0.39) HTTMAPTTSHRALDH1A1KMT2A
Trifluoroacetic Acid SCHEMBL5772964 0.81 TSHR (0.45) TSHRKMT2A
Trifluoroacetic Acid SCHEMBL5777433 0.80 GFER (0.53) POLBLMNAHPGDMAPTTSHR
SCHEMBL5773586 0.79 MAPT (0.43) POLBPPARAGPR183SMN1; SMN2HTT
Trifluoroacetic Acid SCHEMBL5772610 0.79 GFER (0.53) POLBLMNAMAPTTSHRNPC1
Trifluoroacetic Acid SCHEMBL5776822 0.77 DPP8 (0.50) HTTMAPTTSHRALDH1A1KMT2A
Trifluoroacetic Acid SCHEMBL5776691 0.77 GRM5 (0.48) POLBSMN1; SMN2HTTMAPTTSHR

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 POLB 3996/4885PPARA 602/4885HDAC4 434/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 POLB 3909/4885PPARA 247/4885HDAC4 497/4885

“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.