Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2335690

ClC(Cl)COc1ccccc1.O=C(O)C(F)(F)F

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.47
HDAC2 Q92769 2/20 0.47
LMNA P02545 1/20 0.46
PPARG P37231 1/20 0.45
PPARA Q07869 1/20 0.45
MTNR1A P48039 3/20 0.45
MTNR1B P49286 3/20 0.45
ALOX15 P16050 1/20 0.44
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
MLYCD O95822 1/20 0.41
SCN4A P35499 2/20 0.41
CYP2D6 P10635 1/20 0.41

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
Acetic Acid SCHEMBL10562086 0.84 MTNR1A (0.57) LMNAPPARGPPARAMTNR1AMTNR1B
SCHEMBL7688616 0.83 LMNA (0.56) LMNAPPARGPPARAMTNR1AMTNR1B
Trifluoroacetic Acid SCHEMBL11354737 0.77 ALOX15 (0.77) HDAC1HDAC2LMNAPPARGALOX15
Phenoxypropazine SCHEMBL20268628 0.76 MAOA (0.73) LMNAMTNR1AMTNR1BCYP2C19CYP2D6
SCHEMBL3728369 0.74 PPARG (0.54) LMNAPPARGPPARAMTNR1AMTNR1B
Trifluoroacetic Acid SCHEMBL6382769 0.74 ALOX15 (0.55) HDAC1HDAC2ALOX15MLYCD
Trifluoroacetic Acid SCHEMBL6382776 0.74 TAAR1 (0.68) HDAC1HDAC2MTNR1AMTNR1B
Diphenylether SCHEMBL8363381 0.73 LTA4H (0.57) HDAC1HDAC2PPARGPPARA
Trifluoroacetic Acid SCHEMBL21694066 0.72 HDAC1 (0.47) HDAC1HDAC2MTNR1AMTNR1BALOX15
Anisole SCHEMBL2335694 0.71 CA4 (0.52) PPARGPPARA

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8071761-B2 Substrates for beta-lactamase and uses thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-12-06 US disclosed
EP-1405922-B1 Substrates for beta-lactamase and uses thereof UNIV CALIFORNIA (US) 2011-08-24 EP disclosed
US-20070184513-A1 Substrates for beta-lactamase and uses thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-08-09 US disclosed
US-7157575-B2 Substrates for β-lactamase and uses thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-01-02 US disclosed
US-20030119085-A1 Substrates for beta-lactamase and uses thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2003-06-26 US disclosed
US-20020198254-A1 Polyamide analogs GENELABS TECHNOLOGIES, INC. 2002-12-26 US disclosed
US-6472205-B1 EXPRESSION CONTROL SEQUENCES ADAPTED FOR FUNCTION IN EUKARYOTIC CELL, OPERABLY LINKED TO SEQUENCE CODING CYTOSOLIC BETA-LACTAMASE; SCREENING BY CONTACTING HOST CELL WITH MEMBRANE PERMEABLE, FLUORESCENT SUBSTRATE OF BETA-LACTAMASE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2002-10-29 US disclosed
WO-2002062755-A2 POLYAMIDE ANALOGS AS DNA MINOR GROOVE BINDERS GENELABS TECHNOLOGIES, INC. (US) 2002-08-15 WO disclosed
US-6291162-B1 DETERMINING AMOUNT OF LACTAMASE ACTIVITY; TRANSFECTING CELLS WITH A NUCLEIC ACID HAVING AN EXPRESSION CONTROL SEQUENCE LINKED TO A SECRETION DEFECTIVE SEQUENCE; MIXING CELLS WITH LACTAMASE SUBSTRATE; DETERMINE AMOUNT OF CLEAVED SUBSTRATE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2001-09-18 US disclosed
US-5955604-A Substrates for β-lactamase and uses thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1999-09-21 US disclosed
US-5741657-A MEASURING GENE EXPRESSION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1998-04-21 US disclosed
US-4631270-A THIOMETHYLENE REPLACEMENTS RESEARCH CORPORATION (US) 1986-12-23 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 (3 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-20030119085-A1 Substrates for beta-lactamase and uses thereof CMBL, GLB1, BBOX1 HDAC1 2022/4885HDAC2 1783/4885LMNA 444/4885
US-20020198254-A1 Polyamide analogs CYP51A1, HDAC6, ERG28 HDAC1 376/4885HDAC2 670/4885LMNA 1778/4885
US-20070184513-A1 Substrates for beta-lactamase and uses thereof CMBL, DBH, NCEH1 HDAC1 1603/4885HDAC2 905/4885LMNA 1658/4885

“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.