Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL5428837

CCOc1ccccc1CN1CCC2(CC1)CCN(C(=O)c1ccnc(Cl)c1)CC2.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.56

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCR8 P51685 10/20 0.56
KCNH2 Q12809 10/20 0.56
USP2 O75604 4/20 0.56
TSHR P16473 2/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
CYP2D6 P10635 6/20 0.56
CYP3A4 P08684 2/20 0.56
CHRM2 P08172 1/20 0.55
CHRM3 P20309 1/20 0.55
ALDH1A1 P00352 3/20 0.49

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
SCHEMBL5394958 0.95 CCR8 (0.62) CCR8KCNH2USP2TSHRSMN1; SMN2
Trifluoroacetic Acid SCHEMBL5446283 0.91 CCR8 (0.55) CCR8KCNH2USP2TSHRSMN1; SMN2
Trifluoroacetic Acid SCHEMBL5432355 0.89 USP2 (0.57) CCR8KCNH2USP2TSHRSMN1; SMN2
Trifluoroacetic Acid SCHEMBL5431336 0.88 CCR8 (0.62) CCR8KCNH2USP2TSHRSMN1; SMN2
Trifluoroacetic Acid SCHEMBL5432464 0.88 CCR8 (0.70) CCR8KCNH2USP2TSHRSMN1; SMN2
Trifluoroacetic Acid SCHEMBL5428508 0.86 TSHR (0.58) CCR8KCNH2USP2TSHRSMN1; SMN2
SCHEMBL5414779 0.86 CCR8 (0.58) CCR8KCNH2USP2TSHRCYP2D6
Trifluoroacetic Acid SCHEMBL5433691 0.86 CYP2D6 (0.62) CCR8KCNH2USP2TSHRSMN1; SMN2
Trifluoroacetic Acid SCHEMBL5433719 0.85 USP2 (0.67) CCR8KCNH2USP2TSHRSMN1; SMN2
Trifluoroacetic Acid SCHEMBL5434111 0.85 TSHR (0.65) CCR8KCNH2USP2TSHRSMN1; SMN2

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 1 patent. 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

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 CCR8 1/4885KCNH2 2793/4885USP2 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.