Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL1998089

CC1NCCOc2ccc3c(c(Cl)cn3S(=O)(=O)c3cccc(F)c3)c21.O=C(O)C(F)(F)F

nearest known ligand 0.39

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 12/20 0.39
PKM P14618 2/20 0.39
PKLR P30613 2/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HTR2C P28335 1/20 0.37
RORC P51449 4/20 0.35
DRD2 P14416 1/20 0.34
USP9X Q93008 1/20 0.34

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
SCHEMBL2001918 0.93 PKM (0.44) HTR6PKMPKLRHTTSMN1; SMN2
Trifluoroacetic Acid SCHEMBL1997380 0.92 HTR6 (0.38) HTR6PKMPKLRSMN1; SMN2HTR2C
Trifluoroacetic Acid SCHEMBL4409732 0.90 HTR6 (0.37) HTR6PKMPKLRSMN1; SMN2HTR2C
Trifluoroacetic Acid SCHEMBL1994879 0.87 KDM4E (0.36) HTR6HTTSMN1; SMN2NPSR1
Trifluoroacetic Acid SCHEMBL1996681 0.86 PKM (0.41) HTR6PKMPKLRHTTSMN1; SMN2
Trifluoroacetic Acid SCHEMBL1998907 0.85 ALDH1A1 (0.37) HTR6PKMPKLRHTR2C
SCHEMBL2003639 0.85 HTR6 (0.42) HTR6PKMPKLRHTR2CDRD2
SCHEMBL1995792 0.79 HTR6 (0.36) HTR6HTTSMN1; SMN2NPSR1HTR2C
SCHEMBL2001671 0.78 PKM (0.46) HTR6PKMPKLRHTTSMN1; SMN2
SCHEMBL1998665 0.78 PKM (0.39) HTR6PKMPKLRHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7960374-B2 e.g. 2,5-methylene-9-(phenylsulfonyl)-1,2,3,4,5,9-hexahydro[1,5]oxazocino[3,2-e]indole; serotonin receptors antagonist or partial agonist; metabolic diseases, e.g. obesity, insulin resisitance, type 2 diabetes, eating disorders; antidepressant, anxiolytic agent; cosmetics PROXIMAGEN LIMITED (GB) 2011-06-14 US disclosed
EP-2091953-A1 8-SULFONYL-L, 3, 4, 8-TETRAHYDR0-2H- [1, 4]OXAZEPINO [6, 7-E]INDOLE DERIVATIVES AND THEIR USE AS 5-HT6 RECEPTOR LIGANDS BIOVITRUM AB (publ) (SE) 2009-08-26 EP disclosed
US-20080176829-A1 Compounds PROXIMAGEN NEUROSCIENCE PLC (GB) 2008-07-24 US disclosed
WO-2008054288-A1 8-SULFONYL-L, 3, 4, 8-TETRAHYDR0-2H- [1, 4] OXAZEPINO [6, 7-E] INDOLE DERIVATIVES AND THEIR USE AS 5-HT6 RECEPTOR LIGANDS BIOVITRUM AB (PUBL) (SE) 2008-05-08 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-20080176829-A1 Compounds HTR6, HTR1B, HTR1A HTR6 1/4885PKM 1287/4885PKLR 2231/4885

“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.