Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2430592

CC(C)CN(C)c1nc(N)c(C(=O)NCc2ccncc2)nc1Cl.O=C(O)C(F)(F)F

nearest known ligand 0.49

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 2/20 0.49
▸ CYP1A2 P05177 2/20 0.49
▸ CYP2C19 P33261 2/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ GMNN O75496 1/20 0.49
▸ CYP2D6 P10635 1/20 0.49
▸ TSHR P16473 1/20 0.49
▸ SLC9A1 P19634 1/20 0.49
▸ THPO P40225 1/20 0.49
▸ BLM P54132 1/20 0.49
▸ PMP22 Q01453 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49
▸ HDAC6 Q9UBN7 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.40
▸ MAPK1 P28482 2/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40

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
SCHEMBL12288546 0.94 TP53 (0.54) TP53CYP1A2CYP2C19MEN1GMNN
Trifluoroacetic Acid SCHEMBL2427164 0.93 TP53 (0.51) TP53CYP1A2CYP2C19MEN1GMNN
Trifluoroacetic Acid SCHEMBL2430063 0.89 HDAC6 (0.48) TP53CYP1A2CYP2C19MEN1GMNN
SCHEMBL3126877 0.87 TP53 (0.55) TP53CYP1A2CYP2C19MEN1GMNN
Trifluoroacetic Acid SCHEMBL2431919 0.85 CYP1A2 (0.47) TP53CYP1A2CYP2C19MEN1GMNN
SCHEMBL12288544 0.83 HDAC6 (0.53) TP53CYP1A2CYP2C19MEN1GMNN
SCHEMBL12288494 0.80 TP53 (0.56) TP53CYP1A2CYP2C19MEN1GMNN
SCHEMBL3129941 0.80 CYP1A2 (0.52) TP53CYP1A2CYP2C19MEN1GMNN
Hydrochloric Acid SCHEMBL2430995 0.79 TP53 (0.57) TP53CYP1A2CYP2C19MEN1GMNN
Hydrochloric Acid SCHEMBL2432791 0.79 CYP1A2 (0.51) TP53CYP1A2CYP2C19MEN1GMNN

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 3 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
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 TP53 1782/4885CYP1A2 3437/4885CYP2C19 4800/4885

“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.

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