Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL743488

Cc1nc(S(=O)(=O)n2cc3c4c(cccc42)CNCC3)cn1C.O=C(O)C(F)(F)F

nearest known ligand 0.35

Full drug profile on Sugi Atlas →

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.35
THRB P10828 1/20 0.35
HTR6 P50406 9/20 0.33
NLRP3 Q96P20 1/20 0.32
CYP3A4 P08684 2/20 0.32
ALDH1A1 P00352 2/20 0.31
KDM4E B2RXH2 1/20 0.31
SSTR4 P31391 1/20 0.31
HTR2C P28335 3/20 0.31

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
SCHEMBL741793 0.92 THRB (0.40) THRBHTR6CYP3A4HTR2C
Trifluoroacetic Acid SCHEMBL743104 0.86 TSHR (0.41) HTR6SSTR4
Trifluoroacetic Acid SCHEMBL743912 0.82 HTR6 (0.46) HTR6CYP3A4HTR2C
Trifluoroacetic Acid SCHEMBL742666 0.81 HTR6 (0.47) HTR6HTR2C
Trifluoroacetic Acid SCHEMBL741125 0.81 SPR (0.33) HTR6HTR2C
Trifluoroacetic Acid SCHEMBL743281 0.80 HTR2C (0.37) HTR6CYP3A4SSTR4HTR2C
Trifluoroacetic Acid SCHEMBL743908 0.80 POLB (0.40) ALDH1A1
Trifluoroacetic Acid SCHEMBL743495 0.79 HTR6 (0.47) HTR6CYP3A4HTR2C
Trifluoroacetic Acid SCHEMBL743367 0.79 HTR6 (0.47) HTR6CYP3A4HTR2C
Trifluoroacetic Acid SCHEMBL743160 0.79 HTR2C (0.40) HTR6CYP3A4HTR2C

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-8138333-B2 Sulfonyl-indole derivatives PROXIMAGEN LIMITED (GB) 2012-03-20 US disclosed
EP-2134714-A1 TRICYCLIC ISOQUINOLINE DERIVATIVES FOR TREATMENT OF OBESITY Biovitrum AB (publ) (SE) 2009-12-23 EP disclosed
US-20080293694-A1 New compounds BIOVITRUM AB (PUBL.) (SE) 2008-11-27 US disclosed
WO-2008110598-A1 TRICYCLIC ISOQUINOLINE DERIVATIVES FOR TREATMENT OF OBESITY BIOVITRUM AB (PUBL) (SE) 2008-09-18 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-20080293694-A1 New compounds HTR6, HTR1A, HTR1B PTGDR2 165/4885THRB 449/4885HTR6 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.