Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6487353

CCCCCCCN1CCNC[C@H]1CO.O=C(O)C(F)(F)F

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PRKCD Q05655 4/20 0.37
GNAO1 P09471 6/20 0.36
GNAI3 P08754 5/20 0.36
GNAI1 P63096 5/20 0.36
GBA1 P04062 2/20 0.36
S1PR4 O95977 1/20 0.36
S1PR1 P21453 1/20 0.36
S1PR3 Q99500 1/20 0.36
S1PR5 Q9H228 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
FUCA1 P04066 1/20 0.36
SPHK2 Q9NRA0 2/20 0.35
SPHK1 Q9NYA1 2/20 0.35
OPRD1 P41143 1/20 0.35
GBA2 Q9HCG7 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
SCHEMBL6484393 0.88 GBA1 (0.44) GNAO1GNAI3GNAI1GBA1TAAR1
SCHEMBL9261256 0.87 GBA1 (0.43) GNAO1GNAI3GNAI1GBA1TAAR1
SCHEMBL28794955 0.82 TAAR1 (0.44) GBA1TAAR1SPHK2SPHK1GBA2
Trifluoroacetic Acid SCHEMBL28320673 0.81 MITF (0.38) TAAR1
SCHEMBL6487355 0.81 S1PR1 (0.35) GNAO1GNAI3GNAI1GBA1S1PR4
Trifluoroacetic Acid SCHEMBL30307000 0.78 GNAI3 (0.43) GNAO1GNAI3GNAI1S1PR1S1PR3
SCHEMBL6645271 0.78 TAAR1 (0.41) GNAO1GNAI3GNAI1GBA1TAAR1
SCHEMBL7494294 0.77 TAAR1 (0.46) GNAO1GNAI3GNAI1GBA1S1PR4
Trifluoroacetic Acid SCHEMBL27584030 0.77 GNAO1 (0.48) GNAO1GNAI3GNAI1
SCHEMBL3106291 0.76 TAAR1 (0.44) GNAO1GNAI3GNAI1GBA1S1PR4

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6911442-B1 Quinoline derivatives as antibacterials SMITHKLINE BEECHAM P.L.C. (GB) 2005-06-28 US disclosed
US-6803369-B1 INHIBIT A BIOLOGICAL ACTIVITY OF A TOPOISOMERASE ENZYMES SMITHKLINE BEECHAM CORPORATION 2004-10-12 US disclosed
EP-1187828-B1 QUINOLINE DERIVATIVES AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 2004-04-21 EP disclosed
US-20030203917-A1 Compounds and methods for the treatment of neoplastic disease SMITHKLINE BEECHAM CORPORATION AND SMITHKLINE BEECHAM P.L.C. 2003-10-30 US disclosed
EP-1187828-A1 QUINOLINE DERIVATIVES AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 2002-03-20 EP disclosed
WO-2000078748-A1 QUINOLINE DERIVATIVES AS ANTIBACTERIALS SMITHKLINE BEECHAM P.L.C. (GB) 2000-12-28 WO 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 (1 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-20030203917-A1 Compounds and methods for the treatment of neoplastic disease TOP1, TOP2A, TOP2B PRKCD 2298/4885GNAO1 2680/4885GNAI3 3383/4885

“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.