Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL1996223

COc1ccc(C)cc1S(=O)(=O)n1cc(Cl)c2c3c(ccc21)OCCN(C)C3C.O=C(O)C(F)(F)F

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CPT1A P50416 9/20 0.40
CPT1B Q92523 7/20 0.40
CPT2 P23786 6/20 0.40
TSHR P16473 3/20 0.39
MAPK1 P28482 1/20 0.39
USP2 O75604 2/20 0.39
KMT2A Q03164 2/20 0.39
GAA P10253 1/20 0.39
RORC P51449 1/20 0.37
HSD17B10 Q99714 1/20 0.37
ALDH1A1 P00352 1/20 0.36
PKM P14618 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
SCHEMBL1999621 0.93 TSHR (0.45) CPT1ACPT1BCPT2TSHRMAPK1
Trifluoroacetic Acid SCHEMBL1995454 0.83 ALDH1A1 (0.39) TSHRRORCALDH1A1PKM
SCHEMBL1993500 0.79 TSHR (0.42) TSHRMAPK1USP2KMT2AGAA
SCHEMBL1996225 0.78 HSD17B10 (0.40) CPT1ACPT1BCPT2TSHRMAPK1
SCHEMBL1996662 0.76 PKM (0.41) TSHRALDH1A1PKM
SCHEMBL1995997 0.75 HTR6 (0.47) PKM
SCHEMBL2001671 0.72 PKM (0.46) MAPK1PKM
SCHEMBL1998005 0.69 TSHR (0.39) CPT1ACPT1BCPT2TSHRMAPK1
Trifluoroacetic Acid SCHEMBL1998907 0.69 ALDH1A1 (0.37) TSHRALDH1A1PKM
Trifluoroacetic Acid SCHEMBL1997380 0.68 HTR6 (0.38) PKM

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 CPT1A 484/4885CPT1B 953/4885CPT2 1489/4885

“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.