Sugi Predict

Sugi Predict / Compounds / Trifluoroacetic Acid

Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2431919

CC(C)CN(C)c1nc(N)c(C(=O)NCc2cccs2)nc1Cl.O=C(O)C(F)(F)F

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 3/20 0.47
▸ TSHR P16473 3/20 0.47
▸ CYP2D6 P10635 2/20 0.47
▸ CYP2C19 P33261 2/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ TP53 P04637 2/20 0.47
▸ BLM P54132 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ NPSR1 Q6W5P4 2/20 0.47
▸ TDP1 Q9NUW8 2/20 0.47
▸ GMNN O75496 1/20 0.47
▸ SLC9A1 P19634 1/20 0.47
▸ THPO P40225 1/20 0.47
▸ PMP22 Q01453 1/20 0.47
▸ HPGD P15428 7/20 0.43
▸ LMNA P02545 4/20 0.43
▸ ALDH1A1 P00352 4/20 0.43
▸ GAA P10253 3/20 0.43
▸ KDM4E B2RXH2 3/20 0.43
▸ MAPT P10636 2/20 0.43

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
SCHEMBL12288472 0.95 CYP1A2 (0.52) CYP1A2TSHRCYP2D6CYP2C19MEN1
Trifluoroacetic Acid SCHEMBL2427164 0.86 TP53 (0.51) CYP1A2TSHRCYP2D6CYP2C19MEN1
Trifluoroacetic Acid SCHEMBL2430592 0.85 TP53 (0.49) CYP1A2TSHRCYP2D6CYP2C19MEN1
Trifluoroacetic Acid SCHEMBL2430063 0.82 HDAC6 (0.48) CYP1A2TSHRCYP2D6CYP2C19MEN1
SCHEMBL3126877 0.81 TP53 (0.55) CYP1A2TSHRCYP2D6CYP2C19MEN1
SCHEMBL12288546 0.78 TP53 (0.54) CYP1A2TSHRCYP2D6CYP2C19MEN1
SCHEMBL12288471 0.78 CYP1A2 (0.52) CYP1A2TSHRCYP2D6CYP2C19MEN1
SCHEMBL12288495 0.78 GRM5 (0.53) CYP1A2TSHRCYP2D6CYP2C19MEN1
SCHEMBL3129941 0.78 CYP1A2 (0.52) CYP1A2TSHRCYP2D6CYP2C19MEN1
Hydrochloric Acid SCHEMBL2432791 0.77 CYP1A2 (0.51) CYP1A2TSHRCYP2D6CYP2C19MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110217265-A1 Screening for Inhibitors of HCV Amphipathic Helix (AH) Function NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-09-08 — — US claimed
WO-2010039195-A2 SCREENING FOR INHIBITORS OF HCV AMPHIPATHIC HELIX (AH) FUNCTION THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2010-04-08 — — WO claimed
US-20110217265-A1 Screening for Inhibitors of HCV Amphipathic Helix (AH) Function NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-09-08 — — US disclosed
WO-2010039195-A2 SCREENING FOR INHIBITORS OF HCV AMPHIPATHIC HELIX (AH) FUNCTION THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2010-04-08 — — 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 (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-20110217265-A1 Screening for Inhibitors of HCV Amphipathic Helix (AH) Function NSF, HAVCR2, ABHD16A CYP1A2 3437/4885TSHR 3280/4885CYP2D6 3748/4885

“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.