Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL5433995

COc1cc(SC)ccc1C(=O)N1CCC2(CCN(Cc3ccccc3OCc3ccccc3)CC2)CC1.O=C(O)C(F)(F)F

nearest known ligand 0.60

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.60
TSHR P16473 4/20 0.54
USP2 O75604 4/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
CYP2D6 P10635 9/20 0.52
ALDH1A1 P00352 2/20 0.52
CHRM2 P08172 1/20 0.50
CHRM3 P20309 1/20 0.50
CYP3A4 P08684 2/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
CCR8 P51685 4/20 0.47
KCNH2 Q12809 4/20 0.47
LMNA P02545 1/20 0.47
HPGD P15428 1/20 0.47

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
SCHEMBL5405033 0.96 GAA (0.65) GAATSHRUSP2SMN1; SMN2CYP2D6
Trifluoroacetic Acid SCHEMBL5446287 0.92 GAA (0.57) GAATSHRUSP2SMN1; SMN2CYP2D6
Trifluoroacetic Acid SCHEMBL5432761 0.89 CCR8 (0.56) TSHRUSP2SMN1; SMN2CYP2D6ALDH1A1
SCHEMBL5434000 0.87 GAA (0.52) GAATSHRUSP2SMN1; SMN2CYP2D6
SCHEMBL5402137 0.87 GAA (0.60) GAATSHRUSP2SMN1; SMN2CYP2D6
Trifluoroacetic Acid SCHEMBL5446116 0.85 CCR8 (0.52) GAATSHRUSP2SMN1; SMN2CYP2D6
Trifluoroacetic Acid SCHEMBL5437463 0.85 CYP2D6 (0.56) GAATSHRUSP2SMN1; SMN2CYP2D6
SCHEMBL5428641 0.84 CCR8 (0.60) TSHRUSP2SMN1; SMN2CYP2D6ALDH1A1
Trifluoroacetic Acid SCHEMBL5434072 0.83 TSHR (0.63) TSHRUSP2SMN1; SMN2CYP2D6ALDH1A1
Trifluoroacetic Acid SCHEMBL5434940 0.81 CHRM2 (0.61) TSHRUSP2SMN1; SMN2CYP2D6ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070249648-A1 Novel Diazaspiroalkanes and Their Use for Treatment of Ccr8 Mediated Diseases ASTRAZENECA AB (SE) 2007-10-25 US disclosed
EP-1678178-A1 NOVEL DIAZASPIROALKANES AND THEIR USE FOR TREATMENT OF CCR8 MEDIATED DISEASES AstraZeneca AB (SE) 2006-07-12 EP disclosed
WO-2005040167-A1 NOVEL DIAZASPIROALKANES AND THEIR USE FOR TREATMENT OF CCR8 MEDIATED DISEASES ASTRAZENECA AB (SE) 2005-05-06 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-20070249648-A1 Novel Diazaspiroalkanes and Their Use for Treatment of Ccr8 Mediated Diseases CCR8, CCR1, CCR10 GAA 2459/4885TSHR 3697/4885USP2 1826/4885

“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.