Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL5445595

Cn1nccc1C1CCNCC1.O=C(O)C(F)(F)F

nearest known ligand 0.48

Full drug profile on Sugi Atlas →

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.48
PLAT P00750 15/20 0.43
HRH4 Q9H3N8 2/20 0.39
HRH3 Q9Y5N1 1/20 0.39
HDAC4 P56524 2/20 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
SCHEMBL15941963 0.85 PLAT (0.49) HCAR2PLAT
Hydrochloric Acid SCHEMBL29918467 0.84 PLAT (0.48) HCAR2PLAT
Hydrochloric Acid SCHEMBL31554770 0.84 PLAT (0.48) HCAR2PLAT
Cadaverine Tartrate SCHEMBL30751761 0.84 HCAR2 (0.45) HCAR2PLATHDAC4
SCHEMBL5445602 0.75 HCAR2 (0.42) HCAR2HDAC4
Trifluoroacetic Acid SCHEMBL20424356 0.74 HRH4 (0.46) HRH4HRH3
SCHEMBL12802841 0.74
Trifluoroacetic Acid SCHEMBL26600330 0.73 HTR2C (0.54) HRH4HRH3
Hydrochloric Acid SCHEMBL16827936 0.71 MEN1 (0.38) PLAT
SCHEMBL8021529 0.70 PLAT (0.42) PLAT

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-20070117847-A1 N-(3-(4-Substituted-1-piperiding1)-1-phenylpropyl) substituted sulfonamides as NK-3 receptor antagonists CHAMBERS MARK S 2007-05-24 US disclosed
US-7153868-B2 N-(3-(4-substituted-1-piperidinyl)-1-phenylpropyl) substituted sulfonamides as NK-3 receptor antagonists MERCK SHARP & DOHME LTD. 2006-12-26 US disclosed
US-20040002504-A1 N-(3-(4-substituted-1-piperidinyl)-1-phenylpropyl) substituted sulfonamides as NK-3 receptor antagonists MERCK SHARP & DOHME LTD. (GB) 2004-01-01 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 (2 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-20040002504-A1 N-(3-(4-substituted-1-piperidinyl)-1-phenylpropyl) substituted sulfonamides as NK-3 receptor antagonists KCNH3, KCNH2, KCNK3 HCAR2 721/4885PLAT 4817/4885HRH4 82/4885
US-20070117847-A1 N-(3-(4-Substituted-1-piperiding1)-1-phenylpropyl) substituted sulfonamides as NK-3 receptor antagonists TACR2, KCNK3, KCNH3 HCAR2 939/4885PLAT 4639/4885HRH4 41/4885

“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.