Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2992811

CCS(=O)(=O)Nc1ccc(Cl)c(NC2=NC(=O)C(=Cc3ccc4nccc(N5CCN(C)CC5)c4c3)S2)c1.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
HTR6 P50406 13/20 0.40
HTR1D P28221 6/20 0.40
HTR1B P28222 6/20 0.40
HTR1A P08908 5/20 0.40
HTR7 P34969 3/20 0.40
HTR2A P28223 2/20 0.40
ENPP2 Q13822 2/20 0.39
BRD4 O60885 3/20 0.36
HTR2C P28335 2/20 0.36
HTR2B P41595 1/20 0.34
DRD3 P35462 1/20 0.34
CSF1R P07333 1/20 0.33

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
Trifluoroacetic Acid SCHEMBL2992803 1.00 HTR6 (0.40) HTR6HTR1DHTR1BHTR1AHTR7
Trifluoroacetic Acid SCHEMBL2996830 0.93 PIK3CA (0.36) HTR6HTR1DHTR1BHTR1AHTR7
Trifluoroacetic Acid SCHEMBL2996823 0.93 PIK3CA (0.36) HTR6HTR1DHTR1BHTR1AHTR7
Trifluoroacetic Acid SCHEMBL2990510 0.88 ENPP2 (0.40) HTR6HTR1DHTR1BHTR1AHTR7
Trifluoroacetic Acid SCHEMBL2990505 0.88 ENPP2 (0.40) HTR6HTR1DHTR1BHTR1AHTR7
SCHEMBL2992807 0.83 ENPP2 (0.38) HTR6HTR1DHTR1BHTR1AHTR7
SCHEMBL2990909 0.81 MAPK14 (0.43) HTR6HTR1DHTR1BHTR1AHTR7
SCHEMBL2990912 0.81 MAPK14 (0.43) HTR6HTR1DHTR1BHTR1AHTR7
Trifluoroacetic Acid SCHEMBL2996289 0.81 BRAF (0.35)
Trifluoroacetic Acid SCHEMBL2996297 0.81 BRAF (0.35)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080214455-A1 Novel Chemical Compounds SMITHKLINE BEECHAM CORPORATION 2008-09-04 US claimed
EP-1879563-A4 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2008-07-16 EP claimed
EP-1879563-A2 NOVEL CHEMICAL COMPOUNDS Smithkline Beecham Corporation (US) 2008-01-23 EP claimed
WO-2006132739-A2 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-12-14 WO claimed
US-20100184774-A1 METHODS OF TREATMENT SMITHKLINE BEECHAM CORPORATION 2010-07-22 US disclosed
US-20080214455-A1 Novel Chemical Compounds SMITHKLINE BEECHAM CORPORATION 2008-09-04 US disclosed
EP-1879563-A4 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2008-07-16 EP disclosed
EP-1879563-A2 NOVEL CHEMICAL COMPOUNDS Smithkline Beecham Corporation (US) 2008-01-23 EP disclosed
WO-2006132739-A2 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-12-14 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 (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-20080214455-A1 Novel Chemical Compounds HIPK3, HIPK1, HIPK4 HTR6 3461/4885HTR1D 4264/4885HTR1B 4230/4885
US-20100184774-A1 METHODS OF TREATMENT OPRL1, BRCA1, PKD1 HTR6 53/4885HTR1D 271/4885HTR1B 49/4885

“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.