Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6097700

CN1C(=O)[C@@H](N)CN(CC2CC2)c2ccccc21.O=C(O)C(F)(F)F

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 18/20 0.47
GNRHR P30968 1/20 0.38
CRHR1 P34998 1/20 0.36

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
SCHEMBL6096856 0.89 SCN9A (0.42) SCN9A
SCHEMBL6094409 0.75 OPRL1 (0.37) SCN9A
Hydrochloric Acid SCHEMBL4423682 0.72 EGFR (0.41) SCN9A
Hydrochloric Acid SCHEMBL4423689 0.72 EGFR (0.41) SCN9A
Trifluoroacetic Acid SCHEMBL3823598 0.71 GNRHR (0.36) SCN9AGNRHR
Trifluoroacetic Acid SCHEMBL3819170 0.70 GNRHR (0.36) SCN9AGNRHRCRHR1
SCHEMBL4434100 0.70 EGFR (0.37) SCN9A
Hydrochloric Acid SCHEMBL4434097 0.69 EGFR (0.36) SCN9A
Hydrochloric Acid SCHEMBL4434105 0.69 EGFR (0.36) SCN9A
SCHEMBL4434416 0.69 PSEN1 (0.57) SCN9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7001901-B2 Tetrazolylpropionamides as inhibitors of Aβ protein production BRISTOL-MYERS SQUIBB COMPANY (US) 2006-02-21 US disclosed
US-20040082568-A1 Central nervous system disorders; Alzheimer's disease BRISTOL-MYERS SQUIBB COMPANY 2004-04-29 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-20040082568-A1 Central nervous system disorders; Alzheimer's disease APP, APBA1, DNPEP SCN9A 600/4885GNRHR 4641/4885CRHR1 1074/4885

“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.