Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL31055536

CC1(C)CCc2c(-c3cc4ccc(C(=O)N5CCNCC5)cc4[nH]3)n[nH]c2C1.O=C(O)C(F)(F)F

nearest known ligand 0.49

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ITK Q08881 3/20 0.49
▸ KDR P35968 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ RAD52 P43351 1/20 0.37
▸ UBE2N P61088 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ PIP5K1C O60331 4/20 0.37
▸ ACACA Q13085 3/20 0.36
▸ ACACB O00763 2/20 0.36
▸ TLR9 Q9NR96 1/20 0.35
▸ TLR8 Q9NR97 1/20 0.35
▸ TLR7 Q9NYK1 1/20 0.35
▸ FLT3 P36888 1/20 0.35
▸ RIPK1 Q13546 1/20 0.34
▸ GPR183 P32249 2/20 0.34
▸ MET P08581 1/20 0.34
▸ AURKA O14965 1/20 0.34

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
SCHEMBL24670928 0.94 ITK (0.53) ITKKDRPIP5K1CTLR9TLR8
SCHEMBL29990522 0.94 ITK (0.53) ITKKDRPIP5K1CTLR9TLR8
SCHEMBL30863357 0.87 ITK (0.54) ITKPIP5K1CRIPK1MET
SCHEMBL12027720 0.86 ITK (0.53) ITKKDRPIP5K1CRIPK1MET
SCHEMBL30066189 0.85 ITK (0.50) ITKKDRPIP5K1C
SCHEMBL24670789 0.85 ITK (0.50) ITKKDRPIP5K1C
SCHEMBL30801176 0.85 ITK (0.50) ITKKDRPIP5K1C
SCHEMBL12027721 0.85 ITK (0.62) ITKKDRPIP5K1CFLT3RIPK1
Hydrochloric Acid SCHEMBL29207704 0.85 ITK (0.49) ITKKDRPIP5K1C
SCHEMBL24670722 0.85 ITK (0.51) ITKPIP5K1C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240279202-A1 COMPOUNDS FOR INHIBITING OR DEGRADING ITK, COMPOSITIONS, COMPRISING THE SAME METHODS OF THEIR MAKING AND METHODS OF THEIR USE NURIX THERAPEUTICS, INC. 2024-08-22 — — 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-20240279202-A1 COMPOUNDS FOR INHIBITING OR DEGRADING ITK, COMPOSITIONS, COMPRISING THE SAME METHODS OF THEIR MAKING AND METHODS OF THEIR USE ITK, NFATC1, TNIK ITK 1/4885KDR 2126/4885PKM 1160/4885

“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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