Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL5776129

O=C(CCc1cnoc1-c1ccc(F)cc1)N1CCN(c2cccc(Cl)c2)CC1.O=C(O)C(F)(F)F

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
MAPT P10636 4/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
ALDH1A1 P00352 2/20 0.49
TSHR P16473 3/20 0.48
KDM4E B2RXH2 1/20 0.48
HTR1A P08908 5/20 0.46
HTR7 P34969 4/20 0.46
POLB P06746 2/20 0.45
HTT P42858 2/20 0.45
LMNA P02545 1/20 0.45
GAA P10253 1/20 0.45
GFER P55789 1/20 0.44
NPSR1 Q6W5P4 1/20 0.43

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 SCHEMBL5772610 0.91 GFER (0.53) MEN1KMT2AMAPTTSHRPOLB
Trifluoroacetic Acid SCHEMBL5772135 0.91 MAPT (0.56) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1
Trifluoroacetic Acid SCHEMBL5777378 0.91 MAPT (0.50) MEN1KMT2AMAPTSMN1; SMN2TSHR
Trifluoroacetic Acid SCHEMBL5774077 0.91 POLB (0.51) MEN1KMT2AMAPTALDH1A1HTR1A
Trifluoroacetic Acid SCHEMBL5777433 0.89 GFER (0.53) MEN1KMT2AMAPTALDH1A1TSHR
Trifluoroacetic Acid SCHEMBL5775548 0.89 MAPT (0.53) MEN1KMT2AMAPTSMN1; SMN2TSHR
Trifluoroacetic Acid SCHEMBL5776836 0.86 PARP1 (0.44) MEN1KMT2AMAPTTSHRHTR7
Trifluoroacetic Acid SCHEMBL5776691 0.84 GRM5 (0.48) MAPTSMN1; SMN2ALDH1A1TSHRKDM4E
Trifluoroacetic Acid SCHEMBL5770044 0.84 RXFP1 (0.49) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1
Trifluoroacetic Acid SCHEMBL5775321 0.83 KMT2A (0.53) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1

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 MEN1 2811/4885KMT2A 3907/4885MAPT 4701/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 MEN1 2072/4885KMT2A 2906/4885MAPT 4763/4885

“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.