Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3474669

O=C(NCc1ccccc1C(F)(F)F)C1CCNCC1.O=C(O)C(F)(F)F

nearest known ligand 0.62

Full drug profile on Sugi Atlas →

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 17/20 0.62
CYP2C9 P11712 9/20 0.54
CHRM1 P11229 1/20 0.52
CHRM3 P20309 1/20 0.52
P2RX7 Q99572 1/20 0.50

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
SCHEMBL2258748 0.95 EPHX2 (0.67) EPHX2CYP2C9CHRM1CHRM3P2RX7
SCHEMBL13882323 0.88 EPHX2 (0.58) EPHX2CYP2C9P2RX7
SCHEMBL2241728 0.80 EPHX2 (0.58) EPHX2CYP2C9P2RX7
SCHEMBL2241735 0.80 EPHX2 (0.58) EPHX2CYP2C9P2RX7
SCHEMBL14068289 0.80 EPHX2 (0.58) EPHX2CYP2C9P2RX7
SCHEMBL2679093 0.80 EPHX2 (0.61) EPHX2CYP2C9
Hydrochloric Acid SCHEMBL30924066 0.80 EPHX2 (0.70) EPHX2P2RX7
SCHEMBL2679089 0.80 EPHX2 (0.61) EPHX2CYP2C9
SCHEMBL12095818 0.79 EPHX2 (0.60) EPHX2CYP2C9P2RX7
Hydrochloric Acid SCHEMBL30924163 0.79 EPHX2 (0.69) EPHX2CHRM1CHRM3P2RX7

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-20100324076-A1 Novel sEH Inhibitors and their Use GLAXOSMITHKLINE LLC 2010-12-23 US disclosed
US-20100311775-A1 Novel sEH Inhibitors and Their Use SMITHKLINE BEECHAM CORPORATION (US) 2010-12-09 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 (2 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-20100311775-A1 Novel sEH Inhibitors and Their Use EPHX1, NCEH1, FAH EPHX2 4/4885CYP2C9 160/4885CHRM1 3417/4885
US-20100324076-A1 Novel sEH Inhibitors and their Use EPHX1, NCEH1, PCSK9 EPHX2 5/4885CYP2C9 201/4885CHRM1 2255/4885

“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.