Sugi Predict

Sugi Predict / Compounds / Trifluoroacetic Acid

Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4622276

NCC1CCc2cccc(-c3ccccc3Cl)c2O1.O=C(O)C(F)(F)F

nearest known ligand 0.39

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRKAB2 O43741 2/20 0.39
▸ PRKAG1 P54619 2/20 0.39
▸ PRKAA2 P54646 2/20 0.39
▸ PRKAA1 Q13131 2/20 0.39
▸ PRKAG3 Q9UGI9 2/20 0.39
▸ PRKAG2 Q9UGJ0 2/20 0.39
▸ PRKAB1 Q9Y478 2/20 0.39
▸ AQP1 P29972 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ DPP4 P27487 1/20 0.36
▸ DPP7 Q9UHL4 1/20 0.36
▸ NFKB1 P19838 1/20 0.35
▸ NFKB2 Q00653 1/20 0.35
▸ RELA Q04206 1/20 0.35
▸ PDPK1 O15530 1/20 0.34
▸ CYP1A2 P05177 2/20 0.33
▸ CYP3A4 P08684 2/20 0.33
▸ CYP2D6 P10635 2/20 0.33
▸ CYP2C9 P11712 2/20 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
SCHEMBL4621228 0.89 PRKAB2 (0.41) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL8255768 0.89 PRKAB2 (0.41) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL14112625 0.89 PRKAB2 (0.41) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
Hydrochloric Acid SCHEMBL4621669 0.87 PRKAB2 (0.40) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
Hydrochloric Acid SCHEMBL4619793 0.87 PRKAB2 (0.40) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
Ammonia Solution, Strong SCHEMBL4959433 0.81 L3MBTL1 (0.39) TDP1L3MBTL1NFKB1NFKB2RELA
SCHEMBL8210997 0.80 PRKAB2 (0.44) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL8216123 0.80 PRKAB2 (0.40) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL4622279 0.79 NFKB1 (0.37) AQP1TDP1L3MBTL1NFKB1NFKB2
SCHEMBL8213033 0.79 AQP1 (0.44) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3

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
US-20080182891-A1 CHROMANE AND CHROMENE DERIVATIVES AND USES THEREOF WYETH (US) 2008-07-31 — — US disclosed
US-7365095-B2 Chromane and chromene derivatives and uses thereof WYETH (US) 2008-04-29 — — US disclosed
EP-1874756-A1 CHROMANE AND CHROMENE DERIVATIVES AND USES THEREOF Wyeth (US) 2008-01-09 — — EP disclosed
US-20060258714-A1 Chromane and chromene derivatives and uses thereof WYETH (US) 2006-11-16 — — US disclosed
WO-2006116165-A1 CHROMANE AND CHROMENE DERIVATIVES AND USES THEREOF WYETH (US) 2006-11-02 — — 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-20080182891-A1 CHROMANE AND CHROMENE DERIVATIVES AND USES THEREOF HTR1A, HTR2C, CHRM1 PRKAB2 2692/4885PRKAG1 2330/4885PRKAA2 1577/4885
US-20060258714-A1 Chromane and chromene derivatives and uses thereof HTR1A, HTR2C, CHRM1 PRKAB2 2692/4885PRKAG1 2330/4885PRKAA2 1577/4885

“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.