Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6182095

CC(C)CCN(C(=O)c1ccc(NC(=O)N2CCN(Cc3ccccc3)CC2)cc1)C(=O)N(C)C#N.O=C(O)C(F)(F)F

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PRKAB2 O43741 2/20 0.50
PRKAG1 P54619 2/20 0.50
PRKAA2 P54646 2/20 0.50
PRKAA1 Q13131 2/20 0.50
PRKAG3 Q9UGI9 2/20 0.50
PRKAG2 Q9UGJ0 2/20 0.50
PRKAB1 Q9Y478 2/20 0.50
MAPK1 P28482 1/20 0.48
FAAH O00519 13/20 0.48
CA12 O43570 2/20 0.47
CA2 P00918 2/20 0.47
CA9 Q16790 2/20 0.47
KDM4E B2RXH2 1/20 0.46
MAPT P10636 1/20 0.46
NAMPT P43490 1/20 0.46
CA1 P00915 1/20 0.44

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
SCHEMBL7486324 0.95 FAAH (0.53) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
Trifluoroacetic Acid SCHEMBL6183904 0.92 FAAH (0.47) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
Trifluoroacetic Acid SCHEMBL6182101 0.88 PRKAB2 (0.49) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL6182144 0.81 NAMPT (0.46) NAMPT
SCHEMBL6183489 0.80 NAMPT (0.46) NAMPT
Trifluoroacetic Acid SCHEMBL6183907 0.80 FAAH (0.46) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
Trifluoroacetic Acid SCHEMBL6181685 0.80 CNR1 (0.37) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL6183130 0.79 GAA (0.49) MAPK1KDM4EMAPTNAMPT
SCHEMBL6186854 0.74 NPC1 (0.48) KDM4E
SCHEMBL6182403 0.70 GAA (0.47) MAPK1KDM4EMAPTNAMPT

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-1161415-B1 N-CYANOMETHYLAMIDES AS PROTEASE INHIBITORS AXYS PHARM INC (US) 2005-07-13 EP disclosed
US-6593327-B2 N-cyanomethyl amides which are cysteine protease inhibitors; treating osteoporosis; mixtures with bisphosphonates AXYS PHARMACEUTICALS, INC. 2003-07-15 US disclosed
US-20030119788-A1 Novel compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2003-06-26 US disclosed
US-6476026-B1 Compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. 2002-11-05 US disclosed
US-20020086996-A1 Novel compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2002-07-04 US 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-20020086996-A1 Novel compounds and compositions as protease inhibitors CTRL, SERPINB1, CPN1 PRKAB2 3898/4885PRKAG1 3482/4885PRKAA2 2366/4885
US-20030119788-A1 Novel compounds and compositions as protease inhibitors CTRL, SERPINB1, CPN1 PRKAB2 3898/4885PRKAG1 3482/4885PRKAA2 2366/4885

“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.