Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL5214432

NC(=O)c1ccc2c(c1)N(Cc1ccccc1)CC2.NCc1cccc(C(=O)N(CC(=O)O)c2ccccc2)c1.O=C(O)C(F)(F)F

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.42
CPB2 Q96IY4 2/20 0.37
PTGER4 P35408 1/20 0.36
OPRM1 P35372 2/20 0.36
OPRD1 P41143 2/20 0.36
OPRK1 P41145 2/20 0.36
SLC22A12 Q96S37 1/20 0.35
HDAC1 Q13547 3/20 0.35
HDAC6 Q9UBN7 3/20 0.35
HDAC8 Q9BY41 2/20 0.34
HDAC3 O15379 1/20 0.34
CYP2C19 P33261 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC9 Q9UKV0 1/20 0.34
HDAC5 Q9UQL6 1/20 0.34
TNF P01375 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 SCHEMBL5245608 0.90 OPRM1 (0.36) ACHECPB2OPRM1OPRD1OPRK1
Trifluoroacetic Acid SCHEMBL5210452 0.90 OPRM1 (0.35) ACHEPTGER4OPRM1OPRD1OPRK1
Trifluoroacetic Acid SCHEMBL6490397 0.89 F2 (0.37) ACHEOPRM1OPRD1OPRK1CYP2C19
Trifluoroacetic Acid SCHEMBL5212450 0.88 RIPK1 (0.39) ACHECPB2OPRM1OPRD1OPRK1
Trifluoroacetic Acid SCHEMBL5210720 0.88 HSD17B3 (0.38)
Trifluoroacetic Acid SCHEMBL5208180 0.88 RIPK1 (0.42) CPB2
Trifluoroacetic Acid SCHEMBL5209052 0.88 MAPT (0.41)
Trifluoroacetic Acid SCHEMBL5210860 0.88 RIPK1 (0.42)
Trifluoroacetic Acid SCHEMBL5215547 0.87 RIPK1 (0.36) ACHEOPRM1OPRD1OPRK1
Trifluoroacetic Acid SCHEMBL5211445 0.87 POLB (0.44) OPRM1OPRD1

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-1240154-B1 SERINE PROTEASE INHIBITORS TULARIK LTD (GB) 2007-02-28 EP disclosed
US-7157585-B2 Serine protease inhibitors TULARIK LIMITED (GB) 2007-01-02 US disclosed
US-20050215587-A1 Serine protease inhibitors LIVELY SARAH E 2005-09-29 US disclosed
US-6916957-B2 Serine protease inhibitors TULARIK LIMITED (GB) 2005-07-12 US disclosed
US-20030018059-A1 Serine protease inhibitors PROTHERICS MOLECULAR DESIGN LIMITED (GB) 2003-01-23 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-20050215587-A1 Serine protease inhibitors PRSS1, TPSAB1, CMA1 ACHE 480/4885CPB2 136/4885PTGER4 351/4885
US-20030018059-A1 Serine protease inhibitors TPSAB1, PRSS1, SERPINB1 ACHE 1165/4885CPB2 138/4885PTGER4 331/4885

“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.