Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4965389

CC(C)(C)c1cc2c(OCCCCNC(=N)N)c(c1)Cc1cc(C(C)(C)C)cc(c1OCCCCNC(=N)N)Cc1cc(C(C)(C)C)cc(c1OCCCCNC(=N)N)Cc1cc(C(C)(C)C)cc(c1OCCCCNC(=N)N)C2.O=C(O)C(F)(F)F

nearest known ligand 0.52

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 5/20 0.52
CD14 P08571 5/20 0.52
LY96 Q9Y6Y9 5/20 0.52
ELANE P08246 1/20 0.49
CD69 Q07108 1/20 0.49
NPY4R P50391 1/20 0.35
KDM4E B2RXH2 2/20 0.34
GAA P10253 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
F10 P00742 1/20 0.33
PRSS1 P07477 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33

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
SCHEMBL1724181 0.91 TLR4 (0.61) TLR4CD14LY96ELANECD69
Synthalin SCHEMBL29526432 0.71 MEN1 (0.52) NPY4RKDM4ESMN1; SMN2HDAC6POLB
SCHEMBL16545624 0.70 CD69 (0.75) TLR4CD14LY96ELANECD69
Trifluoroacetic Acid SCHEMBL6762936 0.70 SMN1; SMN2 (0.44) NPY4RSMN1; SMN2HDAC3HDAC4HDAC1
SCHEMBL20591106 0.69 ELANE (0.58) TLR4CD14LY96ELANECD69
SCHEMBL16545619 0.69 TLR4 (0.56) TLR4CD14LY96ELANECD69
SCHEMBL13992491 0.69 TLR4 (0.34) TLR4CD14LY96KDM4EGAA
Trifluoroacetic Acid SCHEMBL23796915 0.68 KDM4E (0.50) NPY4RKDM4ESMN1; SMN2POLBMEN1
Trifluoroacetic Acid SCHEMBL6761035 0.68 PRMT1 (0.48) NPY4RSMN1; SMN2POLBMEN1ALDH1A1
Tiformin SCHEMBL7440384 0.68 SMN1; SMN2 (0.41) NPY4RSMN1; SMN2POLBF2TMPRSS6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8207228-B2 Calixarene-based peptide conformation mimetics, methods of use, and methods of making REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2012-06-26 US disclosed
US-20080300164-A1 Calixarene-Based Peptide Conformation Mimetics, Methods of Use, and Methods of Making REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2008-12-04 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 (1 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-20080300164-A1 Calixarene-Based Peptide Conformation Mimetics, Methods of Use, and Methods of Making CLSPN, BID, CALU TLR4 3671/4885CD14 2702/4885LY96 1170/4885

“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.