Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL5775321

O=C(CCc1cnoc1-c1ccc(F)cc1)N1CCN(c2ccccc2F)CC1.O=C(O)C(F)(F)F

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.53
MAPT P10636 4/20 0.51
MEN1 O00255 3/20 0.49
LMNA P02545 2/20 0.49
TSHR P16473 1/20 0.49
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
ALDH1A1 P00352 2/20 0.46
POLB P06746 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
GAA P10253 1/20 0.45
GFER P55789 1/20 0.44
AR P10275 1/20 0.42

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 SCHEMBL5776836 0.92 PARP1 (0.44) KMT2AMAPTMEN1TSHRL3MBTL1
Trifluoroacetic Acid SCHEMBL5775195 0.91 ATM (0.49) KMT2AMAPTL3MBTL1GFERAR
Trifluoroacetic Acid SCHEMBL5772610 0.90 GFER (0.53) KMT2AMAPTMEN1LMNATSHR
Trifluoroacetic Acid SCHEMBL5777370 0.90 L3MBTL1 (0.55) KMT2AMAPTMEN1LMNATSHR
Trifluoroacetic Acid SCHEMBL5770010 0.88 HTR1A (0.49) KMT2AMAPTMEN1LMNATSHR
Trifluoroacetic Acid SCHEMBL5777433 0.88 GFER (0.53) KMT2AMAPTMEN1LMNATSHR
Trifluoroacetic Acid SCHEMBL5776691 0.86 GRM5 (0.48) MAPTTSHRNPC1ALDH1A1POLB
Trifluoroacetic Acid SCHEMBL5774748 0.86 ALDH1A1 (0.53) KMT2ALMNATSHRNPC1RAB9A
Trifluoroacetic Acid SCHEMBL5776834 0.85 HTT (0.46) KMT2AMAPTLMNAPOLBSMN1; SMN2
Trifluoroacetic Acid SCHEMBL5776822 0.85 DPP8 (0.50) KMT2AMAPTMEN1TSHRALDH1A1

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

“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.