Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6181685

CC(C)CCN(C(=O)c1cccc(NC(=O)N2CCN(CC(=O)N3CCCC3)CC2)c1)C(=O)N(C)C#N.O=C(O)C(F)(F)F

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
LMNA P02545 1/20 0.36
PRKAB2 O43741 1/20 0.36
PRKAG1 P54619 1/20 0.36
PRKAA2 P54646 1/20 0.36
PRKAA1 Q13131 1/20 0.36
PRKAG3 Q9UGI9 1/20 0.36
PRKAG2 Q9UGJ0 1/20 0.36
PRKAB1 Q9Y478 1/20 0.36
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
FAAH O00519 3/20 0.35
RAB9A P51151 1/20 0.35
NAMPT P43490 1/20 0.34
MAPK1 P28482 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.34
CCR2 P41597 2/20 0.34
NOD2 Q9HC29 1/20 0.34

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 SCHEMBL6183904 0.88 FAAH (0.47) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL6183489 0.85 NAMPT (0.46) CNR1CNR2KMT2AALDH1A1RAB9A
SCHEMBL6186854 0.82 NPC1 (0.48) ALDH1A1TSHRRAB9A
Trifluoroacetic Acid SCHEMBL6182095 0.80 PRKAB2 (0.50) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL6182403 0.79 GAA (0.47) LMNAKMT2AALDH1A1TSHRNAMPT
Trifluoroacetic Acid SCHEMBL6183907 0.77 FAAH (0.46) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL7486324 0.74 FAAH (0.53) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL6183497 0.74 CNR2 (0.44) CNR1CNR2KMT2AALDH1A1RAB9A
SCHEMBL5521753 0.72 HDAC3 (0.41) RAB9A
SCHEMBL6182144 0.72 NAMPT (0.46) LMNAKMT2AALDH1A1RAB9ANAMPT

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 3 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

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-20030119788-A1 Novel compounds and compositions as protease inhibitors CTRL, SERPINB1, CPN1 CNR1 2336/4885CNR2 3079/4885LMNA 1379/4885

“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.