Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2581954

N#Cc1c(CN)cccc1C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 2/20 0.44
TNKS O95271 7/20 0.42
TNKS2 Q9H2K2 7/20 0.42
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAOB P27338 2/20 0.36
POLQ O75417 1/20 0.36
CHIT1 Q13231 1/20 0.36
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 1/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
PTGS2 P35354 2/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
CACNA1B Q00975 1/20 0.35
APBA1 Q02410 1/20 0.35

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
SCHEMBL3293530 0.77 P2RX7 (0.57) P2RX7TNKSTNKS2CYP2C9CYP2C19
SCHEMBL15534698 0.77 P2RX7 (0.44) P2RX7TNKSTNKS2CYP2C9CYP2C19
SCHEMBL15534934 0.73 P2RX7 (0.42) P2RX7TNKSTNKS2CYP2C9CYP2C19
SCHEMBL20049209 0.73 P2RX7 (0.48) P2RX7TNKSTNKS2CYP2C9CYP2C19
SCHEMBL2581524 0.73 P2RX7 (0.44) P2RX7TNKSTNKS2CYP2C9CYP2C19
SCHEMBL400732 0.72 TAS2R14 (0.47) P2RX7LMNAKDM4EALDH1A1GLA
SCHEMBL1906819 0.72 AR (0.43) LMNAKDM4EALDH1A1GLAGAA
SCHEMBL9892670 0.71 P2RX7 (0.40) P2RX7TNKSTNKS2LMNASMN1; SMN2
Trifluoroacetic Acid SCHEMBL5191276 0.70 AR (0.49)
Trifluoroacetic Acid SCHEMBL27508469 0.69 LOXL2 (0.66) MAPTCACNA1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2049478-B1 SUBSTITUTED N-PHENYLMETHYL -5-OXO-PROLINE-2-AMIDES AS P2X7-RECEPTOR ANTAGONISTS AND THEIR METHODS OF USE GLAXO GROUP LTD (GB) 2012-05-30 EP disclosed
CN-101511787-B Substituted N-phenylmethyl-5-oxo-proline-2-amides as P2X 7-receptor antagonists and methods of their use GLAXO GROUP LTD. (GB) 2011-11-30 CN disclosed
US-8048907-B2 Receptor antagonists and their methods of use GLAXO GROUP LIMITED (GB) 2011-11-01 US disclosed
US-20100144829-A1 Novel Receptor Antagonists and Their Methods of Use GLAXO GROUP LIMITED 2010-06-10 US disclosed
US-7718693-B2 Receptor antagonists and their methods of use GLAXO GROUP LIMITED (GB) 2010-05-18 US disclosed
CN-101511787-A Substituted N-phenylmethyl-5-oxo-proline-2-amides as P2X 7-receptor antagonists and methods of their use GLAXO GROUP LTD (GB) 2009-08-19 CN disclosed
WO-2009074518-A1 COMBINATIONS OF PROLINAMIDE P2X7 MODULATORS WITH FURTHER THERAPEUTIC AGENTS GLAXO GROUP LIMITED (GB) 2009-06-18 WO disclosed
EP-2049478-A1 SUBSTITUTED N-PHENYLMETHYL -5-OXO-PROLINE-2-AMIDES AS P2X7-RECEPTOR ANTAGONISTS AND THEIR METHODS OF USE Glaxo Group Limited (GB) 2009-04-22 EP disclosed
WO-2008003697-A1 SUBSTITUTED N-PHENYLMETHYL -5-OXO-PROLINE-2-AMIDES AS P2X7-RECEPTOR ANTAGONISTS AND THEIR METHODS OF USE GLAXO GROUP LIMITED (GB) 2008-01-10 WO disclosed
US-20080009541-A1 Novel Receptor Antagonists and Their Methods of Use GLAXO GROUP LIMITED (GB) 2008-01-10 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-20080009541-A1 Novel Receptor Antagonists and Their Methods of Use P2RX7, P2RX3, P2RX1 P2RX7 1/4885TNKS 2213/4885TNKS2 2807/4885
US-20100144829-A1 Novel Receptor Antagonists and Their Methods of Use P2RX7, P2RX3, P2RX1 P2RX7 1/4885TNKS 2213/4885TNKS2 2807/4885

“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.