Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3218339

Cc1nc2cc(C(=O)N[C@@H]3CCC[C@H](c4nc5ccccc5[nH]4)C3)ccc2[nH]1.O=C(O)C(F)(F)F

nearest known ligand 0.63

Full drug profile on Sugi Atlas →

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CXCR6 O00574 1/20 0.42
HTR2B P41595 4/20 0.41
CHEK1 O14757 1/20 0.40
PTGES O14684 3/20 0.40
GID4 Q8IVV7 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
PAX8 Q06710 1/20 0.38

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
SCHEMBL13490686 0.94 CXCR6 (0.46) CXCR6HTR2BCHEK1GID4SMN1; SMN2
Trifluoroacetic Acid SCHEMBL3219974 0.88 EPHX2 (0.47) CXCR6HTR2BCHEK1GID4SMN1; SMN2
Trifluoroacetic Acid SCHEMBL3210512 0.88 HTR2B (0.43) CXCR6HTR2BCHEK1GID4SMN1; SMN2
Trifluoroacetic Acid SCHEMBL3210802 0.88 RAB9A (0.55) CXCR6HTR2BCHEK1
Trifluoroacetic Acid SCHEMBL3208139 0.87 CHRM4 (0.43) CXCR6HTR2BCHEK1SMN1; SMN2
Trifluoroacetic Acid SCHEMBL3216470 0.87 HTR2B (0.43) CXCR6HTR2BCHEK1GID4SMN1; SMN2
Trifluoroacetic Acid SCHEMBL3221433 0.86 SMYD3 (0.44) CXCR6HTR2BCHEK1GID4SMN1; SMN2
Trifluoroacetic Acid SCHEMBL3223330 0.86 SMYD3 (0.44) CXCR6HTR2BCHEK1GID4SMN1; SMN2
Trifluoroacetic Acid SCHEMBL3223613 0.85 FOXO1 (0.45) CXCR6HTR2BCHEK1PAX8
Trifluoroacetic Acid SCHEMBL3222205 0.85 MLLT1 (0.54) CXCR6HTR2BCHEK1

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-20100029615-A1 BENZIMIDAZOLE DERIVATIVES PFIZER INC. 2010-02-04 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-20100029615-A1 BENZIMIDAZOLE DERIVATIVES ACIN1, HAT1, CCNE1 CXCR6 3847/4885HTR2B 3456/4885CHEK1 1651/4885

“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.