Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3316561

CN(C)n1cc(C(=O)O)c(=O)c2cc(SCCN)cnc21.O=C(O)C(F)(F)F

nearest known ligand 0.34

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.34
CYP2C9 P11712 1/20 0.34
ATP6V1B2 P21281 1/20 0.34
TBXA2R P21731 1/20 0.34
EDNRA P25101 1/20 0.34
TARBP2 Q15633 1/20 0.34
CASP1 P29466 1/20 0.32
KDM6B O15054 1/20 0.32
KDM4A O75164 1/20 0.32
KDM4D Q6B0I6 1/20 0.32
KDM3B Q7LBC6 1/20 0.32
HIF1AN Q9NWT6 1/20 0.32
KDM5B Q9UGL1 1/20 0.32
KDM2A Q9Y2K7 1/20 0.32
MEN1 O00255 1/20 0.32
ABCC4 O15439 1/20 0.32
PKM P14618 1/20 0.32
PTGS1 P23219 1/20 0.32
KMT2A Q03164 1/20 0.32
KDM4E B2RXH2 1/20 0.31

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 SCHEMBL5469824 0.86 LMNA (0.45) LMNACYP2C9ATP6V1B2TBXA2REDNRA
Trifluoroacetic Acid SCHEMBL3288827 0.82 HRH4 (0.35) LMNACYP2C9ATP6V1B2TBXA2REDNRA
Trifluoroacetic Acid SCHEMBL3296590 0.82 KDM4E (0.40) LMNAMEN1KMT2AKDM4EHTT
SCHEMBL28771351 0.81 ALDH1A1 (0.30)
SCHEMBL5463657 0.80 LMNA (0.48) LMNACYP2C9ATP6V1B2TBXA2REDNRA
Trifluoroacetic Acid SCHEMBL3288201 0.76 KDM4E (0.37) LMNAKDM4EHTT
SCHEMBL27696252 0.73 HSD17B10 (0.36) LMNACYP2C9ATP6V1B2TBXA2REDNRA
Hydrochloric Acid SCHEMBL3313797 0.72 LMNA (0.35) LMNACASP1KDM6BKDM4AKDM4D
Trifluoroacetic Acid SCHEMBL3980213 0.71 KDM4E (0.55) LMNAMEN1ABCC4PKMPTGS1
Trifluoroacetic Acid SCHEMBL5479976 0.69 KDM4E (0.47) LMNAMEN1ABCC4PKMPTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7718621-B2 Macrolones—amino substituted quinolones GLAXO GROUP LTD. (GB) 2010-05-18 US disclosed
US-20090062218-A1 MACROLONE COMPOUNDS GLAXO GROUP LIMITED (GB) 2009-03-05 US disclosed
US-20080090773-A1 Macrolones - Amino Substituted Quinolones GLAXO GROUP LIMITED (GB) 2008-04-17 US disclosed
CN-101098881-A Macrolones - amino substituted quinolones GLAXO GROUP LTD (GB) 2008-01-02 CN disclosed
EP-1824871-A1 MACROLONE COMPOUNDS GLAXO GROUP LIMITED (GB) 2007-08-29 EP disclosed
WO-2006050940-A1 MACROLONE COMPOUNDS GLAXO GROUP LIMITED (GB) 2006-05-18 WO 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-20090062218-A1 MACROLONE COMPOUNDS CYP51A1, MRPL21, MYD88 LMNA 1055/4885CYP2C9 100/4885ATP6V1B2 4049/4885
US-20080090773-A1 Macrolones - Amino Substituted Quinolones MRPL21, Q6ZSR9, QARS1 LMNA 1318/4885CYP2C9 133/4885ATP6V1B2 2902/4885

“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.