Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL1010045

CCOC(=O)c1cnc(NC2C3CNCC32)nc1.O=C(O)C(F)(F)F

nearest known ligand 0.36

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.36
S1PR3 Q99500 1/20 0.36
P2RY12 Q9H244 3/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
JUN P05412 1/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
PCSK9 Q8NBP7 1/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNA4 P43681 1/20 0.35
KDM4E B2RXH2 4/20 0.34
ALOX15 P16050 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
HRH4 Q9H3N8 1/20 0.34
HRH3 Q9Y5N1 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
SCHEMBL1010754 0.92 PCSK9 (0.38) S1PR1S1PR3P2RY12CYP2C9CYP2C19
SCHEMBL1012011 0.77 P2RY12 (0.42) P2RY12CYP2C9CYP2C19ALDH1A1HRH3
SCHEMBL12723444 0.76 ACACB (0.40) S1PR1S1PR3P2RY12CYP2C9CYP2C19
SCHEMBL16048538 0.73 HDAC3 (0.49) CYP2C9CYP2C19PCSK9ALOX15
SCHEMBL17830863 0.72 HDAC1 (0.44) PCSK9ALOX15ALDH1A1
SCHEMBL1012529 0.72 ATM (0.44) P2RY12ALDH1A1
SCHEMBL27034348 0.68 S1PR1 (0.44) S1PR1S1PR3P2RY12CYP2C9CYP2C19
Trifluoroacetic Acid SCHEMBL30271698 0.68 CYP2C9 (0.45) CYP2C9CYP2C19KDM4EALDH1A1HPGD
Trifluoroacetic Acid SCHEMBL30241693 0.67 PPM1B (0.41) SSTR4
SCHEMBL17832703 0.67 NOS2 (0.47)

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-7932246-B2 Histone deacetylase inhibitors CHROMA THERAPEUTICS LTD. (GB) 2011-04-26 US disclosed
EP-1881977-B1 HISTONE DEACETYLASE INHIBITORS CHROMA THERAPEUTICS LTD (GB) 2011-01-05 EP disclosed
US-20100152155-A1 Histone Deacetylase Inhibitors CHROMA THERAPEUTICS LTD. (GB) 2010-06-17 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-20100152155-A1 Histone Deacetylase Inhibitors HDAC1, HDAC2, HDAC11 S1PR1 4167/4885S1PR3 4386/4885P2RY12 4870/4885

“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.