Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL5774292

O=C(CCc1cnoc1-c1ccc(F)cc1)NCCCN1CCOCC1.O=C(O)C(F)(F)F

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.50
USP2 O75604 1/20 0.48
LMNA P02545 1/20 0.48
POLB P06746 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
KDM4E B2RXH2 1/20 0.46
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
GAA P10253 2/20 0.44
ALDH1A1 P00352 3/20 0.43
CD274 Q9NZQ7 1/20 0.43
MAPK1 P28482 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42
HTT P42858 1/20 0.41
HIF1A Q16665 1/20 0.41
ATM Q13315 1/20 0.41

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 SCHEMBL5777111 0.95 CD274 (0.49) TSHRUSP2LMNAPOLBSMN1; SMN2
Trifluoroacetic Acid SCHEMBL5773355 0.91 TSHR (0.50) TSHRUSP2LMNAPOLBSMN1; SMN2
Trifluoroacetic Acid SCHEMBL5775671 0.87 TSHR (0.41) TSHRUSP2LMNAPOLBSMN1; SMN2
Trifluoroacetic Acid SCHEMBL5773422 0.82 HSD17B10 (0.43) TSHRUSP2LMNASMN1; SMN2KDM4E
Trifluoroacetic Acid SCHEMBL5773631 0.82 POLB (0.48) LMNAPOLBSMN1; SMN2KMT2AMEN1
Trifluoroacetic Acid SCHEMBL5777271 0.80 GAA (0.37) TSHRUSP2LMNAPOLBSMN1; SMN2
Trifluoroacetic Acid SCHEMBL5774893 0.80 GAA (0.47) TSHRUSP2LMNASMN1; SMN2KMT2A
Trifluoroacetic Acid SCHEMBL5777437 0.79 ACKR3 (0.41) TSHRUSP2LMNASMN1; SMN2ALDH1A1
Trifluoroacetic Acid SCHEMBL5774844 0.79 HDAC4 (0.40) LMNAKMT2AMEN1GAAALDH1A1
SCHEMBL5774298 0.79 TSHR (0.42) TSHRUSP2LMNASMN1; SMN2KDM4E

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 TSHR 534/4885USP2 3981/4885LMNA 2770/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 TSHR 583/4885USP2 3792/4885LMNA 2605/4885

“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.