Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6503442

CCC(C)NC1=NC(=O)C(CC(=O)N2CCCc3ccccc32)S1.O=C(O)C(F)(F)F

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRM7 Q14831 4/20 0.44
NPSR1 Q6W5P4 3/20 0.40
ALDH1A1 P00352 5/20 0.40
LMNA P02545 4/20 0.40
MAPT P10636 2/20 0.40
TSHR P16473 2/20 0.40
ALOX15 P16050 1/20 0.40
POLB P06746 2/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KDM4E B2RXH2 2/20 0.39
PKM P14618 1/20 0.39
GAA P10253 2/20 0.39
KMT2A Q03164 1/20 0.38

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
SCHEMBL6426299 0.94 GRM7 (0.46) GRM7NPSR1ALDH1A1LMNAMAPT
SCHEMBL6428624 0.82 GRM7 (0.45) GRM7NPSR1ALDH1A1LMNAMAPT
SCHEMBL6507627 0.81 GRM7 (0.46) GRM7NPSR1ALDH1A1MAPTTSHR
SCHEMBL6428159 0.81 GRM7 (0.46) GRM7NPSR1ALDH1A1MAPTTSHR
SCHEMBL6428309 0.80 GRM7 (0.46) GRM7ALDH1A1MAPTTSHRPOLB
SCHEMBL6499936 0.78 ALOX15 (0.42) GRM7NPSR1ALDH1A1LMNAMAPT
SCHEMBL6505625 0.77 MEN1 (0.43) GRM7NPSR1ALDH1A1TSHRPOLB
SCHEMBL6427597 0.77 ALDH1A1 (0.47) GRM7NPSR1ALDH1A1LMNAMAPT
SCHEMBL6426067 0.77 KDM4E (0.44) GRM7ALDH1A1LMNAMAPTTSHR
SCHEMBL6508360 0.77 ALDH1A1 (0.47) GRM7NPSR1ALDH1A1LMNAMAPT

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-20050239853-A1 New compounds BIOVITRUM AB (SE) 2005-10-27 US claimed
US-20050239853-A1 New compounds BIOVITRUM AB (SE) 2005-10-27 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-20050239853-A1 New compounds HSD11B1, CYP11B1, HSD3B1 GRM7 3318/4885NPSR1 687/4885ALDH1A1 67/4885

“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.