Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3614683

CCNC(=O)c1cc2c(CN3CCNCC3)c(OC)ccc2n1S(=O)(=O)c1ccccc1.O=C(O)C(F)(F)F

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DDR1 Q08345 3/20 0.40
MTNR1B P49286 1/20 0.40
HTR6 P50406 5/20 0.38
POLB P06746 2/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
CHRM3 P20309 1/20 0.37
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 3/20 0.37
HIF1A Q16665 1/20 0.36
PTGDR Q13258 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
TP53 P04637 1/20 0.35
ITGB3 P05106 1/20 0.35
ITGA2B P08514 1/20 0.35

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
SCHEMBL3626113 0.95 MTNR1B (0.43) DDR1MTNR1BHTR6POLBGAA
Trifluoroacetic Acid SCHEMBL3614583 0.92 HTR6 (0.39) DDR1MTNR1BHTR6POLBGAA
Trifluoroacetic Acid SCHEMBL3619313 0.89 ALDH1A1 (0.42) DDR1MTNR1BPOLBGAAMAPT
SCHEMBL3616696 0.87 POLB (0.42) DDR1MTNR1BHTR6POLBGAA
SCHEMBL3624788 0.86 ALDH1A1 (0.44) MTNR1BHTR6POLBGAAMAPT
SCHEMBL13120048 0.83 ALDH1A1 (0.45) DDR1MTNR1BPOLBGAAMAPT
Trifluoroacetic Acid SCHEMBL3615430 0.83 KDM4E (0.38) DDR1POLBKDM4EALDH1A1PTGDR
SCHEMBL3620798 0.83 NOD2 (0.46) MTNR1BHTR6POLBGAAMAPT
SCHEMBL3614687 0.80 DDR1 (0.37) DDR1MTNR1BHTR6POLBGAA
Trifluoroacetic Acid SCHEMBL3624912 0.80 HTR6 (0.56) HTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2046741-B1 INDOLES AS 5-HT6 MODULATORS PROXIMAGEN LTD (GB) 2012-10-31 EP disclosed
US-7812017-B2 4-substituted indole and indoline compounds BIOVITRUM AB (PUBL.) (SE) 2010-10-12 US disclosed
EP-2046741-A1 INDOLES AS 5-HT6 MODULATORS BIOVITRUM AB (publ) (SE) 2009-04-15 EP disclosed
US-20080032968-A1 New compounds PROXIMAGEN NEUROSCIENCE PLC (GB) 2008-02-07 US disclosed
WO-2008003703-A1 INDOLES AS 5-HT6 MODULATORS BIOVITRUM AB (PUBL) (SE) 2008-01-10 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-20080032968-A1 New compounds HTR6, HTR1B, HTR1A DDR1 2913/4885MTNR1B 21/4885HTR6 1/4885

“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.