Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2956352

NCCc1ccnc(-c2nc(=O)c3ccc(Cl)cc3s2)c1.O=C(O)C(F)(F)F

nearest known ligand 0.38

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 1/20 0.35
GABRA1 P14867 1/20 0.35
RORC P51449 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
MCL1 Q07820 3/20 0.33
LOXL2 Q9Y4K0 1/20 0.33
BCKDK O14874 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
SHMT1 P34896 1/20 0.33
NPC1 O15118 1/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KMO O15229 1/20 0.31
BCL2 P10415 2/20 0.31
BCL2L1 Q07817 2/20 0.31
BAD Q92934 2/20 0.31
PTPN1 P18031 1/20 0.31
CASP3 P42574 1/20 0.31
SENP8 Q96LD8 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
SCHEMBL13199894 0.91 MIF (0.41) MIFGABRA1MCL1LOXL2BCKDK
Trifluoroacetic Acid SCHEMBL2955614 0.87 MIF (0.50) MIFGABRA1RORCLOXL2RXFP1
SCHEMBL2952815 0.86 HDAC6 (0.45) MIFGABRA1HDAC6MCL1BCKDK
SCHEMBL2961681 0.82 AKT3 (0.38) MIFGABRA1MCL1BCKDKRXFP1
SCHEMBL13199827 0.79 GABRA1 (0.35) MIFGABRA1HDAC6MCL1BCKDK
SCHEMBL13199892 0.77 MIF (0.60) MIFGABRA1LOXL2RXFP1NPC1
SCHEMBL13199891 0.76 LMNA (0.38) MAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL2956402 0.76 MIF (0.59) MIFGABRA1LOXL2RXFP1NPC1
SCHEMBL2958595 0.76 MIF (0.39) MIFGABRA1BCKDKFFAR1
SCHEMBL2960229 0.74 MIF (0.39) MIFGABRA1HDAC6MAPTSMN1; SMN2

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
US-7767665-B2 3-[6-(4-oxo-4H-1,3-benzothiazin-2-yl)-2-pyridyl]propionic acid, having an excellent apoptosis inhibitory and Macrophage migration inhibitory factor (MIF) binding effects, used for preventing and/or treating cancers, AIDS, cardiovascular, neurodegeneartive, bone, kidney and liver disoders TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-03 US disclosed
US-20090082343-A1 1,3-BENZOTHIAZINONE DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-03-26 US disclosed
US-7399759-B2 1, 3-benzothiazinone derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-07-15 US disclosed
US-20050032786-A1 1, 3-benzothiazinone derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-02-10 US disclosed
EP-1424336-A1 1,3-BENZOTHIAZINONE DERIVATIVES AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2004-06-02 EP 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-20090082343-A1 1,3-BENZOTHIAZINONE DERIVATIVES AND USE THEREOF MIF, MORF4L1, FOXM1 MIF 1/4885GABRA1 3323/4885RORC 1216/4885
US-20050032786-A1 1, 3-benzothiazinone derivatives and use thereof MIF, MORF4L1, FOXM1 MIF 1/4885GABRA1 3323/4885RORC 1216/4885

“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.